methyl 2-[(diphenylmethyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(diphenylmethyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(benzhydrylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(benzhydrylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(benzhydrylthiocarbamoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H26N2O2S2 MolecularWeight: 450.61614

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O2S2/c1-16-13-14-19-20(15-16)31-23(21(19)24(28)29-2)27-25(30)26-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,22H,13-15H2,1-2H3,(H2,26,27,30)