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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O

Isomeric SMILES

C1CCCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O

InChI

InChI=1S/C20H26N4OS/c25-19-16-14-15(21-20(26)23-11-5-1-2-6-12-23)9-10-17(16)22-18-8-4-3-7-13-24(18)19/h9-10,14H,1-8,11-13H2,(H,21,26)