N-(2-methylphenyl)-2-[2-(4-methylpiperazin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(2-methylphenyl)-2-[2-(4-methylpiperazin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-N-(o-tolyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(2-methylphenyl)-2-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(2-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(4-methylpiperazino)acetyl]amino]-N-(o-tolyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CN4CCN(CC4)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CN4CCN(CC4)C

InChI

InChI=1S/C23H30N4O2S/c1-16-7-3-5-9-18(16)24-22(29)21-17-8-4-6-10-19(17)30-23(21)25-20(28)15-27-13-11-26(2)12-14-27/h3,5,7,9H,4,6,8,10-15H2,1-2H3,(H,24,29)(H,25,28)