N-(4-chlorophenyl)-2-[(5-ethyl-5-methyl-4-oxidanylidene-3-phenethyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-chlorophenyl)-2-[(5-ethyl-5-methyl-4-oxidanylidene-3-phenethyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-chlorophenyl)-2-[(5-ethyl-5-methyl-4-oxo-3-phenethyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetamide CAS Name: N-(4-chlorophenyl)-2-[(5-ethyl-5-methyl-4-oxo-3-phenethyl-6H-benzo[h]quinazolin-2-yl)thio]acetamide IUPAC Name: N-(4-chlorophenyl)-2-[(5-ethyl-5-methyl-4-oxo-3-phenethyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetamide Traditional Name: N-(4-chlorophenyl)-2-[(5-ethyl-4-keto-5-methyl-3-phenethyl-6H-benzo[h]quinazolin-2-yl)thio]acetamide Formula: C31H30ClN3O2S MolecularWeight: 544.1068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC(=O)NC4=CC=C(C=C4)Cl)CCC5=CC=CC=C5)C

Isomeric SMILES

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC(=O)NC4=CC=C(C=C4)Cl)CCC5=CC=CC=C5)C

InChI

InChI=1S/C31H30ClN3O2S/c1-3-31(2)19-22-11-7-8-12-25(22)28-27(31)29(37)35(18-17-21-9-5-4-6-10-21)30(34-28)38-20-26(36)33-24-15-13-23(32)14-16-24/h4-16H,3,17-20H2,1-2H3,(H,33,36)