4-(4-morpholin-4-yl-3-nitro-phenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione

Systemtic Name: 4-(4-morpholin-4-yl-3-nitro-phenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione Openeye Name: 4-(4-morpholino-3-nitro-phenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione CAS Name: 4-[4-(4-morpholinyl)-3-nitrophenyl]-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione IUPAC Name: 4-(4-morpholin-4-yl-3-nitrophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione Traditional Name: 4-(4-morpholino-3-nitro-phenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)NC(=S)NC2C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)NC(=S)NC2C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3S/c27-26(28)19-13-15(6-8-18(19)25-9-11-29-12-10-25)20-17-7-5-14-3-1-2-4-16(14)21(17)24-22(30)23-20/h1-4,6,8,13,20H,5,7,9-12H2,(H2,23,24,30)