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

Systemtic Name: 1-butyl-1-methyl-3-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea Openeye Name: 1-butyl-1-methyl-3-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea CAS Name: 1-butyl-1-methyl-3-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea IUPAC Name: 1-butyl-1-methyl-3-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea Traditional Name: 1-butyl-3-(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-1-methyl-thiourea Formula: C19H26N4OS MolecularWeight: 358.50094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=S)NC1=CC2=C(C=C1)N=C3CCCCCN3C2=O

Isomeric SMILES

CCCCN(C)C(=S)NC1=CC2=C(C=C1)N=C3CCCCCN3C2=O

InChI

InChI=1S/C19H26N4OS/c1-3-4-11-22(2)19(25)20-14-9-10-16-15(13-14)18(24)23-12-7-5-6-8-17(23)21-16/h9-10,13H,3-8,11-12H2,1-2H3,(H,20,25)