N-cyclopropyl-N-[4-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide

Systemtic Name: N-cyclopropyl-N-[4-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: N-cyclopropyl-N-[4-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-thioxo-1,3,4-thiadiazol-2-yl]propanamide CAS Name: N-cyclopropyl-N-[4-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: N-cyclopropyl-N-[4-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: N-cyclopropyl-N-[4-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-thioxo-1,3,4-thiadiazol-2-yl]propionamide Formula: C18H26N6OS2+2 MolecularWeight: 406.56864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CC1)C2=NN(C(=S)S2)C[NH+]3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

CCC(=O)N(C1CC1)C2=NN(C(=S)S2)C[NH+]3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C18H24N6OS2/c1-2-16(25)24(15-3-4-15)17-20-23(18(26)27-17)13-21-9-11-22(12-10-21)14-5-7-19-8-6-14/h5-8,15H,2-4,9-13H2,1H3/p+2