methyl 3-(dipropylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 3-(dipropylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 3-(dipropylcarbamothioylcarbamoyl)benzoate CAS Name: 3-[[[(dipropylamino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(dipropylcarbamothioylcarbamoyl)benzoate Traditional Name: 3-(dipropylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=S)NC(=O)C1=CC(=CC=C1)C(=O)OC

Isomeric SMILES

CCCN(CCC)C(=S)NC(=O)C1=CC(=CC=C1)C(=O)OC

InChI

InChI=1S/C16H22N2O3S/c1-4-9-18(10-5-2)16(22)17-14(19)12-7-6-8-13(11-12)15(20)21-3/h6-8,11H,4-5,9-10H2,1-3H3,(H,17,19,22)