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

Systemtic Name: methyl 2-[[4-(3-methoxyphenyl)piperazin-1-yl]carbothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-(3-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)N3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)N3CCN(CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H29N3O3S2/c1-15-7-8-18-19(13-15)31-21(20(18)22(27)29-3)24-23(30)26-11-9-25(10-12-26)16-5-4-6-17(14-16)28-2/h4-6,14-15H,7-13H2,1-3H3,(H,24,30)