ethyl 4-[2-[3-[3-(cyclohexylamino)-3-oxidanylidene-propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-[3-(cyclohexylamino)-3-oxidanylidene-propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-[3-(cyclohexylamino)-3-oxo-propyl]-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-[3-(cyclohexylamino)-3-oxopropyl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-[3-(cyclohexylamino)-3-oxopropyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-[3-(cyclohexylamino)-3-keto-propyl]-4-keto-quinazolin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C28H32N4O5S MolecularWeight: 536.64248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NC4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NC4CCCCC4

InChI

InChI=1S/C28H32N4O5S/c1-2-37-27(36)19-12-14-21(15-13-19)30-25(34)18-38-28-31-23-11-7-6-10-22(23)26(35)32(28)17-16-24(33)29-20-8-4-3-5-9-20/h6-7,10-15,20H,2-5,8-9,16-18H2,1H3,(H,29,33)(H,30,34)