N-(3-methylphenyl)-2-(2-piperazin-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(3-methylphenyl)-2-(2-piperazin-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(m-tolyl)-2-[(2-piperazin-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(3-methylphenyl)-2-[[1-oxo-2-(1-piperazinyl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(3-methylphenyl)-2-[(2-piperazin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(m-tolyl)-2-[(2-piperazinoacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CN4CCNCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CN4CCNCC4

InChI

InChI=1S/C22H28N4O2S/c1-15-5-4-6-16(13-15)24-21(28)20-17-7-2-3-8-18(17)29-22(20)25-19(27)14-26-11-9-23-10-12-26/h4-6,13,23H,2-3,7-12,14H2,1H3,(H,24,28)(H,25,27)