1-[2-(4-methoxyphenyl)ethyl]-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione

Systemtic Name: 1-[2-(4-methoxyphenyl)ethyl]-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Openeye Name: 1-[2-(4-methoxyphenyl)ethyl]-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione CAS Name: 1-[2-(4-methoxyphenyl)ethyl]-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione IUPAC Name: 1-[2-(4-methoxyphenyl)ethyl]-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Traditional Name: 1-[2-(4-methoxyphenyl)ethyl]-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2C3=C(CCCC3)C(=S)N=C2C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCN2C3=C(CCCC3)C(=S)N=C2C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O3S/c1-29-19-11-9-16(10-12-19)13-14-25-21-8-3-2-7-20(21)23(30)24-22(25)17-5-4-6-18(15-17)26(27)28/h4-6,9-12,15H,2-3,7-8,13-14H2,1H3