methyl 4-[[3-(dipropylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(dipropylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[3-(dipropylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[3-[(dipropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(dipropylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[3-(dipropylcarbamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C23H27N3O4S/c1-4-13-26(14-5-2)21(28)18-7-6-8-19(15-18)24-23(31)25-20(27)16-9-11-17(12-10-16)22(29)30-3/h6-12,15H,4-5,13-14H2,1-3H3,(H2,24,25,27,31)