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

Systemtic Name: 1-methyl-4-[4-[[5-(2-methylpropylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[[5-(isobutylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[[5-(2-methylpropylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[[5-(2-methylpropylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 4-[4-[[5-(isobutylamino)-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)CNC1=NN(C(=S)S1)CN2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC(C)CNC1=NN(C(=S)S1)CN2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C17H27N7O3S3/c1-12(2)9-19-16-20-24(17(28)29-16)11-22-4-6-23(7-5-22)30(26,27)13-8-14(15(18)25)21(3)10-13/h8,10,12H,4-7,9,11H2,1-3H3,(H2,18,25)(H,19,20)