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

Systemtic Name: N-[[5-cyano-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinolin-6-yl]carbamothioyl]benzamide Openeye Name: N-[[5-cyano-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinolin-6-yl]carbamothioyl]benzamide CAS Name: N-[[[5-cyano-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[5-cyano-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinolin-6-yl]carbamothioyl]benzamide Traditional Name: N-[[5-cyano-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinolin-6-yl]thiocarbamoyl]benzamide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3)N(C1)CC4CC4

Isomeric SMILES

C1CC2=C(C=CC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3)N(C1)CC4CC4

InChI

InChI=1S/C22H22N4OS/c23-13-18-17-7-4-12-26(14-15-8-9-15)20(17)11-10-19(18)24-22(28)25-21(27)16-5-2-1-3-6-16/h1-3,5-6,10-11,15H,4,7-9,12,14H2,(H2,24,25,27,28)