3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-cyclohexyl-benzamide

Systemtic Name: 3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-cyclohexyl-benzamide Openeye Name: 3-(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-cyclohexyl-benzamide CAS Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-cyclohexylbenzamide IUPAC Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-cyclohexylbenzamide Traditional Name: 3-(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-cyclohexyl-benzamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C=C(C=C4)Cl)NC3=S

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C=C(C=C4)Cl)NC3=S

InChI

InChI=1S/C21H20ClN3O2S/c22-14-9-10-17-18(12-14)24-21(28)25(20(17)27)16-8-4-5-13(11-16)19(26)23-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2,(H,23,26)(H,24,28)