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

Systemtic Name: 1-butyl-1-ethyl-3-[(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)sulfanyl]urea Openeye Name: 1-butyl-1-ethyl-3-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)sulfanyl]urea CAS Name: 1-butyl-1-ethyl-3-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thio]urea IUPAC Name: 1-butyl-1-ethyl-3-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)sulfanyl]urea Traditional Name: 1-butyl-1-ethyl-3-[(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thio]urea Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C(=O)NSC1=CC2=C(C=C1)N=C3CCCCCN3C2=O

Isomeric SMILES

CCCCN(CC)C(=O)NSC1=CC2=C(C=C1)N=C3CCCCCN3C2=O

InChI

InChI=1S/C20H28N4O2S/c1-3-5-12-23(4-2)20(26)22-27-15-10-11-17-16(14-15)19(25)24-13-8-6-7-9-18(24)21-17/h10-11,14H,3-9,12-13H2,1-2H3,(H,22,26)