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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O2S2/c1-29-24(28)22-20-14-8-9-15-21(20)31-23(22)26-25(30)27(16-18-10-4-2-5-11-18)17-19-12-6-3-7-13-19/h2-7,10-13H,8-9,14-17H2,1H3,(H,26,30)