1-[2-(6-bromanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-3-(3-methylphenyl)thiourea

Systemtic Name: 1-[2-(6-bromanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-3-(3-methylphenyl)thiourea Openeye Name: 1-[[2-(6-bromo-2-methyl-4-oxo-quinazolin-3-yl)acetyl]amino]-3-(m-tolyl)thiourea CAS Name: 1-[[2-(6-bromo-2-methyl-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]-3-(3-methylphenyl)thiourea IUPAC Name: 1-[[2-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-3-(3-methylphenyl)thiourea Traditional Name: 1-[[2-(6-bromo-4-keto-2-methyl-quinazolin-3-yl)acetyl]amino]-3-(m-tolyl)thiourea Formula: C19H18BrN5O2S MolecularWeight: 460.34752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NNC(=O)CN2C(=NC3=C(C2=O)C=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NNC(=O)CN2C(=NC3=C(C2=O)C=C(C=C3)Br)C

InChI

InChI=1S/C19H18BrN5O2S/c1-11-4-3-5-14(8-11)22-19(28)24-23-17(26)10-25-12(2)21-16-7-6-13(20)9-15(16)18(25)27/h3-9H,10H2,1-2H3,(H,23,26)(H2,22,24,28)