1-butyl-3-[(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)sulfanyl]urea

Systemtic Name: 1-butyl-3-[(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)sulfanyl]urea Openeye Name: 1-butyl-3-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)sulfanyl]urea CAS Name: 1-butyl-3-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thio]urea IUPAC Name: 1-butyl-3-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)sulfanyl]urea Traditional Name: 1-butyl-3-[(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thio]urea Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NSC1=CC2=C(C=C1)N=C3CCCCCN3C2=O

Isomeric SMILES

CCCCNC(=O)NSC1=CC2=C(C=C1)N=C3CCCCCN3C2=O

InChI

InChI=1S/C18H24N4O2S/c1-2-3-10-19-18(24)21-25-13-8-9-15-14(12-13)17(23)22-11-6-4-5-7-16(22)20-15/h8-9,12H,2-7,10-11H2,1H3,(H2,19,21,24)