[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-[(4-carbamoylphenyl)carbamoyl]propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-(4-carbamoylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-carbamoylanilino)-1-oxobutan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-[(4-carbamoylphenyl)carbamoyl]propyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C20H22N2O4S/c1-2-15(19(24)22-14-9-7-12(8-10-14)18(21)23)26-20(25)17-11-13-5-3-4-6-16(13)27-17/h7-11,15H,2-6H2,1H3,(H2,21,23)(H,22,24)