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

Systemtic Name: N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)pyrrolidine-1-carbothioamide Openeye Name: N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)pyrrolidine-1-carbothioamide CAS Name: N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-1-pyrrolidinecarbothioamide IUPAC Name: N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)pyrrolidine-1-carbothioamide Traditional Name: N-(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)pyrrolidine-1-carbothioamide Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=C(C=C3)NC(=S)N4CCCC4)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=C(C=C3)NC(=S)N4CCCC4)C(=O)N2CC1

InChI

InChI=1S/C18H22N4OS/c23-17-14-12-13(19-18(24)21-9-4-5-10-21)7-8-15(14)20-16-6-2-1-3-11-22(16)17/h7-8,12H,1-6,9-11H2,(H,19,24)