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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S2/c1-10-4-6-13(12(3)8-10)18(25)22-20(26)23-19-16(17(21)24)14-7-5-11(2)9-15(14)27-19/h4,6,8,11H,5,7,9H2,1-3H3,(H2,21,24)(H2,22,23,25,26)