2,2-dimethyl-4-oxidanylidene-N-phenyl-5-pyridin-3-yl-1,3,5,11-tetrahydropyrido[3,2-c][1]benzazepine-6-carbothioamide

Systemtic Name: 2,2-dimethyl-4-oxidanylidene-N-phenyl-5-pyridin-3-yl-1,3,5,11-tetrahydropyrido[3,2-c][1]benzazepine-6-carbothioamide Openeye Name: 2,2-dimethyl-4-oxo-N-phenyl-5-(3-pyridyl)-1,3,5,11-tetrahydropyrido[3,2-c][1]benzazepine-6-carbothioamide CAS Name: 2,2-dimethyl-4-oxo-N-phenyl-5-(3-pyridinyl)-1,3,5,11-tetrahydropyrido[3,2-c][1]benzazepine-6-carbothioamide IUPAC Name: 2,2-dimethyl-4-oxo-N-phenyl-5-pyridin-3-yl-1,3,5,11-tetrahydropyrido[3,2-c][1]benzazepine-6-carbothioamide Traditional Name: 4-keto-2,2-dimethyl-N-phenyl-5-(3-pyridyl)-1,3,5,11-tetrahydropyrido[3,2-c][1]benzazepine-6-carbothioamide Formula: C27H26N4OS MolecularWeight: 454.58654

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(N1)CC3=CC=CC=C3N(C2C4=CN=CC=C4)C(=S)NC5=CC=CC=C5)C

Isomeric SMILES

CC1(CC(=O)C2=C(N1)CC3=CC=CC=C3N(C2C4=CN=CC=C4)C(=S)NC5=CC=CC=C5)C

InChI

InChI=1S/C27H26N4OS/c1-27(2)16-23(32)24-21(30-27)15-18-9-6-7-13-22(18)31(25(24)19-10-8-14-28-17-19)26(33)29-20-11-4-3-5-12-20/h3-14,17,25,30H,15-16H2,1-2H3,(H,29,33)