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N-cyclopropyl-2-[4-[(3-sulfanylidene-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide

N-cyclopropyl-2-[4-[(3-sulfanylidene-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name:N-cyclopropyl-2-[4-[(3-sulfanylidene-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide
Openeye Name:N-cyclopropyl-2-[4-[(3-thioxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CAS Name:N-cyclopropyl-2-[4-[(3-sulfanylidene-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)methyl]-1-piperazine-1,4-diiumyl]acetamide
IUPAC Name:N-cyclopropyl-2-[4-[(3-sulfanylidene-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
Traditional Name:N-cyclopropyl-2-[4-[(3-thioxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
Formula: C17H30N6OS+2
MolecularWeight: 366.5247
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN(C(=S)N2CC1)C[NH+]3CC[NH+](CC3)CC(=O)NC4CC4


Isomeric SMILES

C1CCC2=NN(C(=S)N2CC1)C[NH+]3CC[NH+](CC3)CC(=O)NC4CC4


InChI

InChI=1S/C17H28N6OS/c24-16(18-14-5-6-14)12-20-8-10-21(11-9-20)13-23-17(25)22-7-3-1-2-4-15(22)19-23/h14H,1-13H2,(H,18,24)/p+2


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