methyl 3-[(3-heptoxyphenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(3-heptoxyphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(3-heptoxyphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[(3-heptoxyanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-heptoxyphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(3-heptoxyphenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C23H28N2O4S/c1-3-4-5-6-7-14-29-20-13-9-12-19(16-20)24-23(30)25-21(26)17-10-8-11-18(15-17)22(27)28-2/h8-13,15-16H,3-7,14H2,1-2H3,(H2,24,25,26,30)