methyl 3-butyl-2-[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-2-[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-[2-(cyclohexylcarbamoylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-2-[[2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-2-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-2-[[2-(cyclohexylcarbamoylamino)-2-keto-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C23H30N4O5S MolecularWeight: 474.5731

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NC(=O)NC3CCCCC3

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NC(=O)NC3CCCCC3

InChI

InChI=1S/C23H30N4O5S/c1-3-4-12-27-20(29)17-11-10-15(21(30)32-2)13-18(17)25-23(27)33-14-19(28)26-22(31)24-16-8-6-5-7-9-16/h10-11,13,16H,3-9,12,14H2,1-2H3,(H2,24,26,28,31)