4-[2-oxidanylidene-2-(6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]-N-phenyl-piperazine-1-carbothioamide

Systemtic Name: 4-[2-oxidanylidene-2-(6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-[2-keto-2-(6-keto-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]-N-phenyl-piperazine-1-carbothioamide Formula: C25H24N6O2S MolecularWeight: 472.56206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4)C(=S)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4)C(=S)NC5=CC=CC=C5

InChI

InChI=1S/C25H24N6O2S/c32-22(17-29-13-15-30(16-14-29)25(34)27-18-7-2-1-3-8-18)31-21-11-5-4-9-19(21)24(33)28-20-10-6-12-26-23(20)31/h1-12H,13-17H2,(H,27,34)(H,28,33)