4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(4-nitrophenyl)sulfanylphenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(4-nitrophenyl)sulfanylphenyl]piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(4-nitrophenyl)sulfanylphenyl]piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[4-[(4-nitrophenyl)thio]phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(4-nitrophenyl)sulfanylphenyl]piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-[(4-nitrophenyl)thio]phenyl]piperazine-1-carbothioamide Formula: C27H26N6O4S2 MolecularWeight: 562.66314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)SC5=CC=C(C=C5)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)SC5=CC=C(C=C5)[N+](=O)[O-])OC

InChI

InChI=1S/C27H26N6O4S2/c1-36-24-15-22-23(16-25(24)37-2)28-17-29-26(22)31-11-13-32(14-12-31)27(38)30-18-3-7-20(8-4-18)39-21-9-5-19(6-10-21)33(34)35/h3-10,15-17H,11-14H2,1-2H3,(H,30,38)