methyl 4-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[3-[[cyclopropyl(oxo)methyl]amino]-2-methylanilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC)NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC)NC(=O)C3CC3

InChI

InChI=1S/C21H21N3O4S/c1-12-16(22-18(25)13-6-7-13)4-3-5-17(12)23-21(29)24-19(26)14-8-10-15(11-9-14)20(27)28-2/h3-5,8-11,13H,6-7H2,1-2H3,(H,22,25)(H2,23,24,26,29)