4-[[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-pentyl-benzamide

Systemtic Name: 4-[[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-pentyl-benzamide Openeye Name: 4-[[2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]methyl]-N-pentyl-benzamide CAS Name: 4-[[2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]methyl]-N-pentylbenzamide IUPAC Name: 4-[[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-pentylbenzamide Traditional Name: N-amyl-4-[[2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]methyl]benzamide Formula: C29H36N4O3S MolecularWeight: 520.68614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCCC4

Isomeric SMILES

CCCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCCC4

InChI

InChI=1S/C29H36N4O3S/c1-2-3-9-18-30-27(35)22-16-14-21(15-17-22)19-33-28(36)24-12-7-8-13-25(24)32-29(33)37-20-26(34)31-23-10-5-4-6-11-23/h7-8,12-17,23H,2-6,9-11,18-20H2,1H3,(H,30,35)(H,31,34)