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

Systemtic Name: N-(phenylmethyl)-2-[4-[(2-sulfanylidene-1,3-thiazolidin-4-yl)carbonyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-benzyl-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-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(2-sulfanylidene-1,3-thiazolidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(2-thioxothiazolidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide Formula: C18H24N4O2S2 MolecularWeight: 392.53876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CSC(=S)N2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CSC(=S)N2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C18H24N4O2S2/c23-16(19-11-14-5-2-1-3-6-14)12-21-7-4-8-22(10-9-21)17(24)15-13-26-18(25)20-15/h1-3,5-6,15H,4,7-13H2,(H,19,23)(H,20,25)