methyl 5-aminocarbonyl-2-[2-[bis(phenylmethyl)amino]ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-aminocarbonyl-2-[2-[bis(phenylmethyl)amino]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-2-[[2-(dibenzylamino)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[bis(phenylmethyl)amino]-1-oxoethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-2-[[2-(dibenzylamino)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-(dibenzylamino)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C24H25N3O4S/c1-16-20(24(30)31-2)23(32-21(16)22(25)29)26-19(28)15-27(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12H,13-15H2,1-2H3,(H2,25,29)(H,26,28)