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

Systemtic Name: (phenylmethyl) 2-[4-[(2-sulfanylidene-1,3-thiazolidin-4-yl)carbonyl]-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(2-thioxothiazolidine-4-carbonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[oxo-(2-sulfanylidene-4-thiazolidinyl)methyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(2-sulfanylidene-1,3-thiazolidine-4-carbonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(2-thioxothiazolidine-4-carbonyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CSC(=S)N2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CSC(=S)N2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H23N3O3S2/c22-16(24-12-14-5-2-1-3-6-14)11-20-7-4-8-21(10-9-20)17(23)15-13-26-18(25)19-15/h1-3,5-6,15H,4,7-13H2,(H,19,25)