4-[4-[[5-(tert-butylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[[5-(tert-butylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[[5-(tert-butylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[[5-(tert-butylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[[5-(tert-butylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[[5-(tert-butylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C17H27N7O3S3 MolecularWeight: 473.63638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NN(C(=S)S1)CN2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC(C)(C)NC1=NN(C(=S)S1)CN2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C17H27N7O3S3/c1-17(2,3)19-15-20-24(16(28)29-15)11-22-5-7-23(8-6-22)30(26,27)12-9-13(14(18)25)21(4)10-12/h9-10H,5-8,11H2,1-4H3,(H2,18,25)(H,19,20)