2-[(4-chlorophenyl)methylsulfanyl]-3-cyclohexyl-N-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-cyclohexyl-N-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-cyclohexyl-N-(2-furylmethyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(4-chlorophenyl)methylthio]-3-cyclohexyl-N-(2-furanylmethyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-cyclohexyl-N-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(4-chlorobenzyl)thio]-3-cyclohexyl-N-(2-furfuryl)-4-keto-quinazoline-7-carboxamide Formula: C27H26ClN3O3S MolecularWeight: 508.03164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CO4)N=C2SCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CO4)N=C2SCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H26ClN3O3S/c28-20-11-8-18(9-12-20)17-35-27-30-24-15-19(25(32)29-16-22-7-4-14-34-22)10-13-23(24)26(33)31(27)21-5-2-1-3-6-21/h4,7-15,21H,1-3,5-6,16-17H2,(H,29,32)