methyl 2-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(5-tert-butyl-2-methoxyanilino)-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-tert-butyl-2-methoxyphenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-tert-butyl-2-methoxy-phenyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H30N2O3S2 MolecularWeight: 446.6259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=C(C=CC(=C3)C(C)(C)C)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=C(C=CC(=C3)C(C)(C)C)OC

InChI

InChI=1S/C23H30N2O3S2/c1-13-7-9-15-18(11-13)30-20(19(15)21(26)28-6)25-22(29)24-16-12-14(23(2,3)4)8-10-17(16)27-5/h8,10,12-13H,7,9,11H2,1-6H3,(H2,24,25,29)