N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC4=C(S3)CCCC4)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC4=C(S3)CCCC4)C

InChI

InChI=1S/C22H29N3OS/c1-3-24-10-12-25(13-11-24)18-8-9-19(16(2)14-18)23-22(26)21-15-17-6-4-5-7-20(17)27-21/h8-9,14-15H,3-7,10-13H2,1-2H3,(H,23,26)