4-(4-methoxyphenyl)-3-(4-nitrophenyl)sulfonyl-1,4,5,6,7,8-hexahydroquinazoline-2-thione

Systemtic Name: 4-(4-methoxyphenyl)-3-(4-nitrophenyl)sulfonyl-1,4,5,6,7,8-hexahydroquinazoline-2-thione Openeye Name: 4-(4-methoxyphenyl)-3-(4-nitrophenyl)sulfonyl-1,4,5,6,7,8-hexahydroquinazoline-2-thione CAS Name: 4-(4-methoxyphenyl)-3-(4-nitrophenyl)sulfonyl-1,4,5,6,7,8-hexahydroquinazoline-2-thione IUPAC Name: 4-(4-methoxyphenyl)-3-(4-nitrophenyl)sulfonyl-1,4,5,6,7,8-hexahydroquinazoline-2-thione Traditional Name: 4-(4-methoxyphenyl)-3-nosyl-1,4,5,6,7,8-hexahydroquinazoline-2-thione Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C3=C(CCCC3)NC(=S)N2S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2C3=C(CCCC3)NC(=S)N2S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5S2/c1-29-16-10-6-14(7-11-16)20-18-4-2-3-5-19(18)22-21(30)23(20)31(27,28)17-12-8-15(9-13-17)24(25)26/h6-13,20H,2-5H2,1H3,(H,22,30)