1-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-3-(3-methoxyphenyl)thiourea

Systemtic Name: 1-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[3-(6-bromo-4-oxo-quinazolin-3-yl)propanoylamino]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[[3-(6-bromo-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[3-(6-bromo-4-keto-quinazolin-3-yl)propanoylamino]-3-(3-methoxyphenyl)thiourea Formula: C19H18BrN5O3S MolecularWeight: 476.34692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NNC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NNC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C19H18BrN5O3S/c1-28-14-4-2-3-13(10-14)22-19(29)24-23-17(26)7-8-25-11-21-16-6-5-12(20)9-15(16)18(25)27/h2-6,9-11H,7-8H2,1H3,(H,23,26)(H2,22,24,29)