N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxamide Openeye Name: N-[3-[3-methyl-4-(m-tolyl)piperazin-1-yl]propyl]-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxamide CAS Name: N-[3-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]propyl]-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide Traditional Name: N-[3-[3-methyl-4-(m-tolyl)piperazino]propyl]-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxamide Formula: C27H31N5OS MolecularWeight: 473.63294

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)CCCNC(=O)C3=C(C4=C(S3)N=CC=C4)N5C=CC=C5

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)CCCNC(=O)C3=C(C4=C(S3)N=CC=C4)N5C=CC=C5

InChI

InChI=1S/C27H31N5OS/c1-20-8-5-9-22(18-20)32-17-16-30(19-21(32)2)13-7-12-28-26(33)25-24(31-14-3-4-15-31)23-10-6-11-29-27(23)34-25/h3-6,8-11,14-15,18,21H,7,12-13,16-17,19H2,1-2H3,(H,28,33)