methyl 4-[[5-methyl-3-[(phenylmethyl)carbamoyl]thiophen-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[5-methyl-3-[(phenylmethyl)carbamoyl]thiophen-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(benzylcarbamoyl)-5-methyl-2-thienyl]carbamoyl]benzoate CAS Name: 4-[[[5-methyl-3-[oxo-[(phenylmethyl)amino]methyl]-2-thiophenyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(benzylcarbamoyl)-5-methylthiophen-2-yl]carbamoyl]benzoate Traditional Name: 4-[[3-(benzylcarbamoyl)-5-methyl-2-thienyl]carbamoyl]benzoic acid methyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)OC)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)OC)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4S/c1-14-12-18(20(26)23-13-15-6-4-3-5-7-15)21(29-14)24-19(25)16-8-10-17(11-9-16)22(27)28-2/h3-12H,13H2,1-2H3,(H,23,26)(H,24,25)