N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-4-phenyl-piperazine-1-carbothioamide

Systemtic Name: N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-4-phenyl-piperazine-1-carbothioamide CAS Name: N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-4-phenylpiperazine-1-carbothioamide Traditional Name: N-(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-4-phenyl-piperazine-1-carbothioamide Formula: C24H27N5OS MolecularWeight: 433.56908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=C(C=C3)NC(=S)N4CCN(CC4)C5=CC=CC=C5)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=C(C=C3)NC(=S)N4CCN(CC4)C5=CC=CC=C5)C(=O)N2CC1

InChI

InChI=1S/C24H27N5OS/c30-23-20-17-18(10-11-21(20)26-22-9-5-2-6-12-29(22)23)25-24(31)28-15-13-27(14-16-28)19-7-3-1-4-8-19/h1,3-4,7-8,10-11,17H,2,5-6,9,12-16H2,(H,25,31)