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

Systemtic Name: 4-(4-methoxyphenyl)-3-(phenylsulfonyl)-1,4,5,6,7,8-hexahydroquinazoline-2-thione Openeye Name: 3-(benzenesulfonyl)-4-(4-methoxyphenyl)-1,4,5,6,7,8-hexahydroquinazoline-2-thione CAS Name: 3-(benzenesulfonyl)-4-(4-methoxyphenyl)-1,4,5,6,7,8-hexahydroquinazoline-2-thione IUPAC Name: 3-(benzenesulfonyl)-4-(4-methoxyphenyl)-1,4,5,6,7,8-hexahydroquinazoline-2-thione Traditional Name: 3-besyl-4-(4-methoxyphenyl)-1,4,5,6,7,8-hexahydroquinazoline-2-thione Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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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=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2C3=C(CCCC3)NC(=S)N2S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O3S2/c1-26-16-13-11-15(12-14-16)20-18-9-5-6-10-19(18)22-21(27)23(20)28(24,25)17-7-3-2-4-8-17/h2-4,7-8,11-14,20H,5-6,9-10H2,1H3,(H,22,27)