N-[(E)-anthracen-9-ylmethylideneamino]-2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(E)-anthracen-9-ylmethylideneamino]-2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(E)-9-anthrylmethyleneamino]-2-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(E)-9-anthracenylmethylideneamino]-2-[[3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(E)-anthracen-9-ylmethylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[(E)-9-anthrylmethyleneamino]-2-[[3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C31H21ClN4O2S MolecularWeight: 549.04204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=NNC(=O)CSC4=NC5=CC=CC=C5C(=O)N4C6=CC=C(C=C6)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=N/NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4C6=CC=C(C=C6)Cl

InChI

InChI=1S/C31H21ClN4O2S/c32-22-13-15-23(16-14-22)36-30(38)26-11-5-6-12-28(26)34-31(36)39-19-29(37)35-33-18-27-24-9-3-1-7-20(24)17-21-8-2-4-10-25(21)27/h1-18H,19H2,(H,35,37)/b33-18+