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

Systemtic Name: 1-tert-butyl-3-[(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-3-yl)carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbonyl)amino]thiourea CAS Name: 1-tert-butyl-3-[[oxo-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-3-yl)methyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbonyl)amino]thiourea Traditional Name: 1-tert-butyl-3-[(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbonyl)amino]thiourea Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1=CC2=C(C=C1)C(=O)N3CCCCCC3=N2

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)C1=CC2=C(C=C1)C(=O)N3CCCCCC3=N2

InChI

InChI=1S/C19H25N5O2S/c1-19(2,3)21-18(27)23-22-16(25)12-8-9-13-14(11-12)20-15-7-5-4-6-10-24(15)17(13)26/h8-9,11H,4-7,10H2,1-3H3,(H,22,25)(H2,21,23,27)