methyl 4-(8-chloranyl-6-methyl-5,11-dihydropyrido[3,2-c][1]benzazepin-11-yl)-N-cyano-piperazine-1-carboximidothioate

Systemtic Name: methyl 4-(8-chloranyl-6-methyl-5,11-dihydropyrido[3,2-c][1]benzazepin-11-yl)-N-cyano-piperazine-1-carboximidothioate Openeye Name: methyl 4-(8-chloro-6-methyl-5,11-dihydropyrido[3,2-c][1]benzazepin-11-yl)-N-cyano-piperazine-1-carboximidothioate CAS Name: 4-(8-chloro-6-methyl-5,11-dihydropyrido[3,2-c][1]benzazepin-11-yl)-N-cyano-1-piperazinecarboximidothioic acid methyl ester IUPAC Name: methyl 4-(8-chloro-6-methyl-5,11-dihydropyrido[3,2-c][1]benzazepin-11-yl)-N-cyanopiperazine-1-carboximidothioate Traditional Name: 4-(8-chloro-6-methyl-5,11-dihydropyrido[3,2-c][1]benzazepin-11-yl)-N-cyano-piperazine-1-carboximidothioic acid methyl ester Formula: C21H23ClN6S MolecularWeight: 426.96552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C(C3=C1C=C(C=C3)Cl)N4CCN(CC4)C(=NC#N)SC)N=CC=C2

Isomeric SMILES

CN1CC2=C(C(C3=C1C=C(C=C3)Cl)N4CCN(CC4)C(=NC#N)SC)N=CC=C2

InChI

InChI=1S/C21H23ClN6S/c1-26-13-15-4-3-7-24-19(15)20(17-6-5-16(22)12-18(17)26)27-8-10-28(11-9-27)21(29-2)25-14-23/h3-7,12,20H,8-11,13H2,1-2H3