N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-quinolin-8-ylsulfanyl-ethanamide

Systemtic Name: N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(8-quinolylsulfanyl)acetamide CAS Name: N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(8-quinolinylthio)acetamide IUPAC Name: N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(8-quinolylthio)acetamide Formula: C18H21N3OS MolecularWeight: 327.44384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=NNC(=O)CSC2=CC=CC3=C2N=CC=C3)C1

Isomeric SMILES

C[C@H]1CCC/C(=N/NC(=O)CSC2=CC=CC3=C2N=CC=C3)/C1

InChI

InChI=1S/C18H21N3OS/c1-13-5-2-8-15(11-13)20-21-17(22)12-23-16-9-3-6-14-7-4-10-19-18(14)16/h3-4,6-7,9-10,13H,2,5,8,11-12H2,1H3,(H,21,22)/b20-15-/t13-/m0/s1