methyl 2-(2,3-dihydroindol-1-ylcarbothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(2,3-dihydroindol-1-ylcarbothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(indoline-1-carbothioylamino)thiophene-3-carboxylate CAS Name: 2-[[2,3-dihydroindol-1-yl(sulfanylidene)methyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(2,3-dihydroindole-1-carbothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(indoline-1-carbothioylamino)thiophene-3-carboxylic acid methyl ester Formula: C22H20N2O2S2 MolecularWeight: 408.5364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCC4=CC=CC=C43

InChI

InChI=1S/C22H20N2O2S2/c1-26-21(25)18-14-17(13-15-7-3-2-4-8-15)28-20(18)23-22(27)24-12-11-16-9-5-6-10-19(16)24/h2-10,14H,11-13H2,1H3,(H,23,27)