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

Systemtic Name: 6-tert-butyl-2-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-2-[(3,5-dimethylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-2-[[[[(3,5-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-2-[(3,5-dimethylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-2-[(3,5-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(=CC(=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S2/c1-12-8-13(2)10-14(9-12)20(28)25-22(29)26-21-18(19(24)27)16-7-6-15(23(3,4)5)11-17(16)30-21/h8-10,15H,6-7,11H2,1-5H3,(H2,24,27)(H2,25,26,28,29)