8-bromanyl-3-(4-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one; piperazine

Systemtic Name: 8-bromanyl-3-(4-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one; piperazine Openeye Name: 8-bromo-3-(4-methoxyphenyl)-2-thioxo-1H-quinazolin-4-one; piperazine CAS Name: 8-bromo-3-(4-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one; piperazine IUPAC Name: 8-bromo-3-(4-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one; piperazine Traditional Name: 8-bromo-3-(4-methoxyphenyl)-2-thioxo-1H-quinazolin-4-one; piperazine Formula: C34H32Br2N6O4S2 MolecularWeight: 812.59368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C(=CC=C3)Br)NC2=S.COC1=CC=C(C=C1)N2C(=O)C3=C(C(=CC=C3)Br)NC2=S.C1CNCCN1

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C(=CC=C3)Br)NC2=S.COC1=CC=C(C=C1)N2C(=O)C3=C(C(=CC=C3)Br)NC2=S.C1CNCCN1

InChI

InChI=1S/2C15H11BrN2O2S.C4H10N2/c2*1-20-10-7-5-9(6-8-10)18-14(19)11-3-2-4-12(16)13(11)17-15(18)21;1-2-6-4-3-5-1/h2*2-8H,1H3,(H,17,21);5-6H,1-4H2