2-(3-nitrophenyl)-1-(1-phenylethyl)-5,6,7,8-tetrahydroquinazoline-4-thione

Systemtic Name: 2-(3-nitrophenyl)-1-(1-phenylethyl)-5,6,7,8-tetrahydroquinazoline-4-thione Openeye Name: 2-(3-nitrophenyl)-1-(1-phenylethyl)-5,6,7,8-tetrahydroquinazoline-4-thione CAS Name: 2-(3-nitrophenyl)-1-(1-phenylethyl)-5,6,7,8-tetrahydroquinazoline-4-thione IUPAC Name: 2-(3-nitrophenyl)-1-(1-phenylethyl)-5,6,7,8-tetrahydroquinazoline-4-thione Traditional Name: 2-(3-nitrophenyl)-1-(1-phenylethyl)-5,6,7,8-tetrahydroquinazoline-4-thione Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C3=C(CCCC3)C(=S)N=C2C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)N2C3=C(CCCC3)C(=S)N=C2C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O2S/c1-15(16-8-3-2-4-9-16)24-20-13-6-5-12-19(20)22(28)23-21(24)17-10-7-11-18(14-17)25(26)27/h2-4,7-11,14-15H,5-6,12-13H2,1H3