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

Systemtic Name: 1-[(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-3-yl)carbonylamino]-3-phenyl-thiourea Openeye Name: 1-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbonyl)amino]-3-phenyl-thiourea CAS Name: 1-[[oxo-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-3-yl)methyl]amino]-3-phenylthiourea IUPAC Name: 1-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbonyl)amino]-3-phenylthiourea Traditional Name: 1-[(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbonyl)amino]-3-phenyl-thiourea Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NNC(=S)NC4=CC=CC=C4)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NNC(=S)NC4=CC=CC=C4)C(=O)N2CC1

InChI

InChI=1S/C21H21N5O2S/c27-19(24-25-21(29)22-15-7-3-1-4-8-15)14-10-11-16-17(13-14)23-18-9-5-2-6-12-26(18)20(16)28/h1,3-4,7-8,10-11,13H,2,5-6,9,12H2,(H,24,27)(H2,22,25,29)