methyl 3-(heptylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 3-(heptylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 3-(heptylcarbamothioylcarbamoyl)benzoate CAS Name: 3-[[[(heptylamino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(heptylcarbamothioylcarbamoyl)benzoate Traditional Name: 3-(heptylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC(=O)C1=CC(=CC=C1)C(=O)OC

Isomeric SMILES

CCCCCCCNC(=S)NC(=O)C1=CC(=CC=C1)C(=O)OC

InChI

InChI=1S/C17H24N2O3S/c1-3-4-5-6-7-11-18-17(23)19-15(20)13-9-8-10-14(12-13)16(21)22-2/h8-10,12H,3-7,11H2,1-2H3,(H2,18,19,20,23)