ethyl 3-[(4-ethanoyl-1,4-diazepan-1-yl)carbothioylamino]benzoate

Systemtic Name: ethyl 3-[(4-ethanoyl-1,4-diazepan-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 3-[(4-acetyl-1,4-diazepane-1-carbothioyl)amino]benzoate CAS Name: 3-[[(4-acetyl-1,4-diazepan-1-yl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-acetyl-1,4-diazepane-1-carbothioyl)amino]benzoate Traditional Name: 3-[(4-acetyl-1,4-diazepane-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCCN(CC2)C(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCCN(CC2)C(=O)C

InChI

InChI=1S/C17H23N3O3S/c1-3-23-16(22)14-6-4-7-15(12-14)18-17(24)20-9-5-8-19(10-11-20)13(2)21/h4,6-7,12H,3,5,8-11H2,1-2H3,(H,18,24)