N-[[5-cyano-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamothioyl]benzamide

Systemtic Name: N-[[5-cyano-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamothioyl]benzamide Openeye Name: N-[[5-cyano-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamothioyl]benzamide CAS Name: N-[[[5-cyano-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[5-cyano-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamothioyl]benzamide Traditional Name: N-[[5-cyano-1-(3,4,5-trimethoxybenzyl)-3,4-dihydro-2H-quinolin-6-yl]thiocarbamoyl]benzamide Formula: C28H28N4O4S MolecularWeight: 516.61132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CCCC3=C2C=CC(=C3C#N)NC(=S)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CCCC3=C2C=CC(=C3C#N)NC(=S)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H28N4O4S/c1-34-24-14-18(15-25(35-2)26(24)36-3)17-32-13-7-10-20-21(16-29)22(11-12-23(20)32)30-28(37)31-27(33)19-8-5-4-6-9-19/h4-6,8-9,11-12,14-15H,7,10,13,17H2,1-3H3,(H2,30,31,33,37)