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

Systemtic Name: methyl 2-[bis(phenylmethyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(dibenzylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[bis(phenylmethyl)amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(dibenzylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(dibenzylthiocarbamoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C26H28N2O2S2 MolecularWeight: 464.64272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O2S2/c1-18-13-14-21-22(15-18)32-24(23(21)25(29)30-2)27-26(31)28(16-19-9-5-3-6-10-19)17-20-11-7-4-8-12-20/h3-12,18H,13-17H2,1-2H3,(H,27,31)