N-phenyl-2-[4-[(2-sulfanylidene-1,3-thiazolidin-4-yl)carbonyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-phenyl-2-[4-[(2-sulfanylidene-1,3-thiazolidin-4-yl)carbonyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-phenyl-2-[4-(2-thioxothiazolidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[oxo-(2-sulfanylidene-4-thiazolidinyl)methyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: N-phenyl-2-[4-(2-sulfanylidene-1,3-thiazolidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-phenyl-2-[4-(2-thioxothiazolidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide Formula: C17H22N4O2S2 MolecularWeight: 378.51218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CSC(=S)N2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CSC(=S)N2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H22N4O2S2/c22-15(18-13-5-2-1-3-6-13)11-20-7-4-8-21(10-9-20)16(23)14-12-25-17(24)19-14/h1-3,5-6,14H,4,7-12H2,(H,18,22)(H,19,24)