N-(2-cyanoethyl)-2-[3-(9-ethylcarbazol-3-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-methyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[3-(9-ethylcarbazol-3-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[3-(9-ethylcarbazol-3-yl)-4-oxo-quinazolin-2-yl]sulfanyl-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[3-(9-ethyl-3-carbazolyl)-4-oxo-2-quinazolinyl]thio]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[3-(9-ethylcarbazol-3-yl)-4-keto-quinazolin-2-yl]thio]-N-methyl-acetamide Formula: C28H25N5O2S MolecularWeight: 495.5954

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(=O)N(C)CCC#N)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(=O)N(C)CCC#N)C5=CC=CC=C51

InChI

InChI=1S/C28H25N5O2S/c1-3-32-24-12-7-5-9-20(24)22-17-19(13-14-25(22)32)33-27(35)21-10-4-6-11-23(21)30-28(33)36-18-26(34)31(2)16-8-15-29/h4-7,9-14,17H,3,8,16,18H2,1-2H3