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

Systemtic Name: (6R)-6-tert-butyl-2-[(2,4-dimethylphenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6R)-6-tert-butyl-2-[(2,4-dimethylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6R)-6-tert-butyl-2-[[[[(2,4-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6R)-6-tert-butyl-2-[(2,4-dimethylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6R)-6-tert-butyl-2-[(2,4-dimethylbenzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H29N3O2S2 MolecularWeight: 443.62526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)C[C@@H](CC3)C(C)(C)C)C(=O)N)C

InChI

InChI=1S/C23H29N3O2S2/c1-12-6-8-15(13(2)10-12)20(28)25-22(29)26-21-18(19(24)27)16-9-7-14(23(3,4)5)11-17(16)30-21/h6,8,10,14H,7,9,11H2,1-5H3,(H2,24,27)(H2,25,26,28,29)/t14-/m1/s1