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

Systemtic Name: N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-4-(phenylmethyl)piperidine-1-carbothioamide Openeye Name: 4-benzyl-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)piperidine-1-carbothioamide CAS Name: N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-4-(phenylmethyl)-1-piperidinecarbothioamide IUPAC Name: 4-benzyl-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)piperidine-1-carbothioamide Traditional Name: 4-benzyl-N-(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)piperidine-1-carbothioamide Formula: C26H30N4OS MolecularWeight: 446.6076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=C(C=C3)NC(=S)N4CCC(CC4)CC5=CC=CC=C5)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=C(C=C3)NC(=S)N4CCC(CC4)CC5=CC=CC=C5)C(=O)N2CC1

InChI

InChI=1S/C26H30N4OS/c31-25-22-18-21(10-11-23(22)28-24-9-5-2-6-14-30(24)25)27-26(32)29-15-12-20(13-16-29)17-19-7-3-1-4-8-19/h1,3-4,7-8,10-11,18,20H,2,5-6,9,12-17H2,(H,27,32)