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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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