3,5-dimethyl-N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)piperidine-1-carbothioamide

Systemtic Name: 3,5-dimethyl-N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)piperidine-1-carbothioamide Openeye Name: 3,5-dimethyl-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)piperidine-1-carbothioamide CAS Name: 3,5-dimethyl-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-1-piperidinecarbothioamide IUPAC Name: 3,5-dimethyl-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)piperidine-1-carbothioamide Traditional Name: N-(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-3,5-dimethyl-piperidine-1-carbothioamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=S)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O)C

Isomeric SMILES

CC1CC(CN(C1)C(=S)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O)C

InChI

InChI=1S/C21H28N4OS/c1-14-10-15(2)13-24(12-14)21(27)22-16-7-8-18-17(11-16)20(26)25-9-5-3-4-6-19(25)23-18/h7-8,11,14-15H,3-6,9-10,12-13H2,1-2H3,(H,22,27)