methyl 6-methyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[[4-(1-naphthylmethyl)piperazine-1-carbothioyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[[4-(1-naphthalenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[[4-(naphthalen-1-ylmethyl)piperazine-1-carbothioyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[4-(1-naphthylmethyl)piperazine-1-carbothioyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C27H31N3O2S2 MolecularWeight: 493.68394

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H31N3O2S2/c1-18-10-11-22-23(16-18)34-25(24(22)26(31)32-2)28-27(33)30-14-12-29(13-15-30)17-20-8-5-7-19-6-3-4-9-21(19)20/h3-9,18H,10-17H2,1-2H3,(H,28,33)