N-[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C27H35N3O4S2 MolecularWeight: 529.7145

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C3=C(S2)C[C@H](CC3)C(C)(C)C)C#N

InChI

InChI=1S/C27H35N3O4S2/c1-7-32-20-12-16(13-21(33-8-2)23(20)34-9-3)24(31)29-26(35)30-25-19(15-28)18-11-10-17(27(4,5)6)14-22(18)36-25/h12-13,17H,7-11,14H2,1-6H3,(H2,29,30,31,35)/t17-/m0/s1