N-[[3-cyano-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]carbamothioyl]benzamide

Systemtic Name: N-[[3-cyano-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]carbamothioyl]benzamide Openeye Name: N-[[3-cyano-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]carbamothioyl]benzamide CAS Name: N-[[[3-cyano-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-cyano-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]carbamothioyl]benzamide Traditional Name: N-[[3-cyano-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]thiocarbamoyl]benzamide Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=NC3=C2CCCC3)NC(=S)NC(=O)C4=CC=CC=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=NC3=C2CCCC3)NC(=S)NC(=O)C4=CC=CC=C4)C#N)OC

InChI

InChI=1S/C26H24N4O3S/c1-32-21-13-12-17(14-22(21)33-2)23-18-10-6-7-11-20(18)28-24(19(23)15-27)29-26(34)30-25(31)16-8-4-3-5-9-16/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3,(H2,28,29,30,31,34)