N-cyclohexyl-3-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanamide

Systemtic Name: N-cyclohexyl-3-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanamide Openeye Name: N-cyclohexyl-3-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanamide CAS Name: N-cyclohexyl-3-[2-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propanamide IUPAC Name: N-cyclohexyl-3-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanamide Traditional Name: N-cyclohexyl-3-[4-keto-2-[[2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl]thio]quinazolin-3-yl]propionamide Formula: C30H37N5O4S MolecularWeight: 563.71088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCC(=O)NC5CCCCC5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCC(=O)NC5CCCCC5

InChI

InChI=1S/C30H37N5O4S/c1-39-26-14-8-7-13-25(26)33-17-19-34(20-18-33)28(37)21-40-30-32-24-12-6-5-11-23(24)29(38)35(30)16-15-27(36)31-22-9-3-2-4-10-22/h5-8,11-14,22H,2-4,9-10,15-21H2,1H3,(H,31,36)