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

Systemtic Name: methyl 4-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[3-(isopropylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[[3-[oxo-(propan-2-ylamino)methyl]anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[3-(isopropylcarbamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-12(2)21-18(25)15-5-4-6-16(11-15)22-20(28)23-17(24)13-7-9-14(10-8-13)19(26)27-3/h4-12H,1-3H3,(H,21,25)(H2,22,23,24,28)