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

Systemtic Name: N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-4-pyridin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-4-(2-pyridyl)piperazine-1-carbothioamide CAS Name: N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-4-(2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-4-pyridin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-4-(2-pyridyl)piperazine-1-carbothioamide Formula: C23H26N6OS MolecularWeight: 434.55714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=C(C=C3)NC(=S)N4CCN(CC4)C5=CC=CC=N5)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=C(C=C3)NC(=S)N4CCN(CC4)C5=CC=CC=N5)C(=O)N2CC1

InChI

InChI=1S/C23H26N6OS/c30-22-18-16-17(8-9-19(18)26-21-7-2-1-5-11-29(21)22)25-23(31)28-14-12-27(13-15-28)20-6-3-4-10-24-20/h3-4,6,8-10,16H,1-2,5,7,11-15H2,(H,25,31)