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

Systemtic Name: 3-methyl-N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)piperidine-1-carbothioamide Openeye Name: 3-methyl-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)piperidine-1-carbothioamide CAS Name: 3-methyl-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-1-piperidinecarbothioamide IUPAC Name: 3-methyl-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-methyl-piperidine-1-carbothioamide Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=S)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O

Isomeric SMILES

CC1CCCN(C1)C(=S)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O

InChI

InChI=1S/C20H26N4OS/c1-14-6-5-10-23(13-14)20(26)21-15-8-9-17-16(12-15)19(25)24-11-4-2-3-7-18(24)22-17/h8-9,12,14H,2-7,10-11,13H2,1H3,(H,21,26)