N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S2/c1-11-5-6-13-14(10-22)20(30-17(13)7-11)24-21(29)23-19(25)12-8-15(26-2)18(28-4)16(9-12)27-3/h8-9,11H,5-7H2,1-4H3,(H2,23,24,25,29)