2-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(3,5-dimethylbenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[[(3,5-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(3,5-dimethylbenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(3,5-dimethylbenzoyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H23N3O2S2 MolecularWeight: 401.54552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S2/c1-10-4-5-14-15(9-10)27-19(16(14)17(21)24)23-20(26)22-18(25)13-7-11(2)6-12(3)8-13/h6-8,10H,4-5,9H2,1-3H3,(H2,21,24)(H2,22,23,25,26)