methyl N-[(2R)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]carbamate

Systemtic Name: methyl N-[(2R)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanylpropanoyl]carbamate CAS Name: N-[(2R)-2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanoyl]carbamate Traditional Name: N-[(2R)-2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]propanoyl]carbamic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2S[C@H](C)C(=O)NC(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-13-8-10-15(11-9-13)12-24-19(26)16-6-4-5-7-17(16)22-20(24)29-14(2)18(25)23-21(27)28-3/h4-11,14H,12H2,1-3H3,(H,23,25,27)/t14-/m1/s1