1-[2-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-3-(4-methylphenyl)thiourea

Systemtic Name: 1-[2-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-3-(4-methylphenyl)thiourea Openeye Name: 1-[[2-[3-(4-bromophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]-3-(p-tolyl)thiourea CAS Name: 1-[[2-[[3-(4-bromophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-3-(4-methylphenyl)thiourea IUPAC Name: 1-[[2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-3-(4-methylphenyl)thiourea Traditional Name: 1-[[2-[[3-(4-bromophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]-3-(p-tolyl)thiourea Formula: C24H20BrN5O2S2 MolecularWeight: 554.4819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H20BrN5O2S2/c1-15-6-10-17(11-7-15)26-23(33)29-28-21(31)14-34-24-27-20-5-3-2-4-19(20)22(32)30(24)18-12-8-16(25)9-13-18/h2-13H,14H2,1H3,(H,28,31)(H2,26,29,33)