1-[[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]methylideneamino]-3-butyl-thiourea

Systemtic Name: 1-[[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]methylideneamino]-3-butyl-thiourea Openeye Name: 1-[[3-(4-bromophenyl)-4-oxo-quinazolin-2-yl]methyleneamino]-3-butyl-thiourea CAS Name: 1-[[3-(4-bromophenyl)-4-oxo-2-quinazolinyl]methylideneamino]-3-butylthiourea IUPAC Name: 1-[[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]methylideneamino]-3-butylthiourea Traditional Name: 1-[[3-(4-bromophenyl)-4-keto-quinazolin-2-yl]methyleneamino]-3-butyl-thiourea Formula: C20H20BrN5OS MolecularWeight: 458.3747

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCNC(=S)NN=CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN5OS/c1-2-3-12-22-20(28)25-23-13-18-24-17-7-5-4-6-16(17)19(27)26(18)15-10-8-14(21)9-11-15/h4-11,13H,2-3,12H2,1H3,(H2,22,25,28)