4-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]butanoate

Systemtic Name: 4-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]butanoate Openeye Name: 4-[2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]butanoate CAS Name: 4-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]butanoate IUPAC Name: 4-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]butanoate Traditional Name: 4-[2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]butyrate Formula: C18H18BrN2O2S- MolecularWeight: 406.31672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=S)N=C(N2CCCC(=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC2=C(C1)C(=S)N=C(N2CCCC(=O)[O-])C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H19BrN2O2S/c19-13-9-7-12(8-10-13)17-20-18(24)14-4-1-2-5-15(14)21(17)11-3-6-16(22)23/h7-10H,1-6,11H2,(H,22,23)/p-1