2-[3-[(4-chlorophenyl)carbonylamino]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[3-[(4-chlorophenyl)carbonylamino]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-[[(4-chlorophenyl)-oxomethyl]amino]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H20ClN3O3S MolecularWeight: 405.8984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Cl)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Cl)C(=O)N

InChI

InChI=1S/C19H20ClN3O3S/c20-12-7-5-11(6-8-12)18(26)22-10-9-15(24)23-19-16(17(21)25)13-3-1-2-4-14(13)27-19/h5-8H,1-4,9-10H2,(H2,21,25)(H,22,26)(H,23,24)