1-[3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[3-(8-methyl-4-oxo-quinazolin-3-yl)propanoylamino]thiourea CAS Name: 1-[[3-(8-methyl-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiourea Traditional Name: 1-benzyl-3-[3-(4-keto-8-methyl-quinazolin-3-yl)propanoylamino]thiourea Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)NNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O2S/c1-14-6-5-9-16-18(14)22-13-25(19(16)27)11-10-17(26)23-24-20(28)21-12-15-7-3-2-4-8-15/h2-9,13H,10-12H2,1H3,(H,23,26)(H2,21,24,28)