ethyl 2-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 2-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 2-[[4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioyl]amino]benzoate CAS Name: 2-[[sulfanylidene-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C19H24N4O2S2 MolecularWeight: 404.54946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=NC=CS3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=NC=CS3

InChI

InChI=1S/C19H24N4O2S2/c1-2-25-18(24)15-6-3-4-7-16(15)21-19(26)23-10-5-9-22(11-12-23)14-17-20-8-13-27-17/h3-4,6-8,13H,2,5,9-12,14H2,1H3,(H,21,26)