N-[[(6S)-3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[(6S)-3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[(6S)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[[(6S)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[(6S)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[(6S)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-piperonylamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O4S2/c1-22(2,3)12-5-6-13-16(9-12)31-20(17(13)18(23)26)25-21(30)24-19(27)11-4-7-14-15(8-11)29-10-28-14/h4,7-8,12H,5-6,9-10H2,1-3H3,(H2,23,26)(H2,24,25,27,30)/t12-/m0/s1