methyl 4-[[5-methyl-3-[(phenylmethyl)carbamoyl]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[5-methyl-3-[(phenylmethyl)carbamoyl]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[3-(benzylcarbamoyl)-5-methyl-2-thienyl]carbamoyl]cyclohexanecarboxylate CAS Name: 4-[[[5-methyl-3-[oxo-[(phenylmethyl)amino]methyl]-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[3-(benzylcarbamoyl)-5-methylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: 4-[[3-(benzylcarbamoyl)-5-methyl-2-thienyl]carbamoyl]cyclohexanecarboxylic acid methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2CCC(CC2)C(=O)OC)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2CCC(CC2)C(=O)OC)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4S/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/h3-7,12,16-17H,8-11,13H2,1-2H3,(H,23,26)(H,24,25)