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

Systemtic Name: 1-butyl-1-ethyl-3-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea Openeye Name: 1-butyl-1-ethyl-3-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea CAS Name: 1-butyl-1-ethyl-3-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea IUPAC Name: 1-butyl-1-ethyl-3-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea Traditional Name: 1-butyl-1-ethyl-3-(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4OS/c1-3-5-12-23(4-2)20(26)21-15-10-11-17-16(14-15)19(25)24-13-8-6-7-9-18(24)22-17/h10-11,14H,3-9,12-13H2,1-2H3,(H,21,26)