2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-N-[2-(1-cyclohexenyl)ethyl]-3-cyclohexyl-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-4-keto-quinazoline-7-carboxamide Formula: C31H35N5O2S MolecularWeight: 541.7069

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CCCCC4)N=C2SCC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CCCCC4)N=C2SCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C31H35N5O2S/c37-29(32-18-17-21-9-3-1-4-10-21)22-15-16-24-27(19-22)35-31(36(30(24)38)23-11-5-2-6-12-23)39-20-28-33-25-13-7-8-14-26(25)34-28/h7-9,13-16,19,23H,1-6,10-12,17-18,20H2,(H,32,37)(H,33,34)