1-[2-(6-bromanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)ethyl]-3-phenyl-1-propan-2-yl-thiourea

Systemtic Name: 1-[2-(6-bromanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)ethyl]-3-phenyl-1-propan-2-yl-thiourea Openeye Name: 1-[2-(6-bromo-2-methyl-4-oxo-quinazolin-3-yl)ethyl]-1-isopropyl-3-phenyl-thiourea CAS Name: 1-[2-(6-bromo-2-methyl-4-oxo-3-quinazolinyl)ethyl]-3-phenyl-1-propan-2-ylthiourea IUPAC Name: 1-[2-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)ethyl]-3-phenyl-1-propan-2-ylthiourea Traditional Name: 1-[2-(6-bromo-4-keto-2-methyl-quinazolin-3-yl)ethyl]-1-isopropyl-3-phenyl-thiourea Formula: C21H23BrN4OS MolecularWeight: 459.40252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Br)C(=O)N1CCN(C(C)C)C(=S)NC3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)Br)C(=O)N1CCN(C(C)C)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C21H23BrN4OS/c1-14(2)25(21(28)24-17-7-5-4-6-8-17)11-12-26-15(3)23-19-10-9-16(22)13-18(19)20(26)27/h4-10,13-14H,11-12H2,1-3H3,(H,24,28)