(phenylmethyl) 2-[3-[3-(cyclohexylamino)-3-oxidanylidene-propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[3-[3-(cyclohexylamino)-3-oxidanylidene-propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[3-[3-(cyclohexylamino)-3-oxo-propyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[3-(cyclohexylamino)-3-oxopropyl]-4-oxo-2-quinazolinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-[3-(cyclohexylamino)-3-oxopropyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-[3-(cyclohexylamino)-3-keto-propyl]-4-keto-quinazolin-2-yl]thio]acetic acid benzyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c30-23(27-20-11-5-2-6-12-20)15-16-29-25(32)21-13-7-8-14-22(21)28-26(29)34-18-24(31)33-17-19-9-3-1-4-10-19/h1,3-4,7-10,13-14,20H,2,5-6,11-12,15-18H2,(H,27,30)