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

Systemtic Name: ethyl 4-[(4-methyl-1,4-diazepan-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 4-[(4-methyl-1,4-diazepane-1-carbothioyl)amino]benzoate CAS Name: 4-[[(4-methyl-1,4-diazepan-1-yl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methyl-1,4-diazepane-1-carbothioyl)amino]benzoate Traditional Name: 4-[(4-methyl-1,4-diazepane-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-3-21-15(20)13-5-7-14(8-6-13)17-16(22)19-10-4-9-18(2)11-12-19/h5-8H,3-4,9-12H2,1-2H3,(H,17,22)