N-(2-benzamidoethyl)-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(2-benzamidoethyl)-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(2-benzamidoethyl)-2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(2-benzamidoethyl)-2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(2-benzamidoethyl)-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(2-benzamidoethyl)-2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)NCCNC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)NCCNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2S/c26-20(16-8-2-1-3-9-16)23-12-13-24-21(27)19-17-10-4-5-11-18(17)28-22(19)25-14-6-7-15-25/h1-3,6-9,14-15H,4-5,10-13H2,(H,23,26)(H,24,27)