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

Systemtic Name: methyl 2-[(2-methyl-2,3-dihydroindol-1-yl)carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-methylindoline-1-carbothioyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-methyl-2,3-dihydroindol-1-yl)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methyl-2,3-dihydroindole-1-carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-methylindoline-1-carbothioyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=S)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=S)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C20H22N2O2S2/c1-12-11-13-7-3-5-9-15(13)22(12)20(25)21-18-17(19(23)24-2)14-8-4-6-10-16(14)26-18/h3,5,7,9,12H,4,6,8,10-11H2,1-2H3,(H,21,25)