N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(4-methyl-2-oxo-chromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(4-methyl-2-oxo-1-benzopyran-7-yl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-methyl-2-oxochromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(2-keto-4-methyl-chromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C21H20N4O4S MolecularWeight: 424.4729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4S/c1-14-12-20(26)29-19-13-15(2-7-18(14)19)22-21(30)24-10-8-23(9-11-24)16-3-5-17(6-4-16)25(27)28/h2-7,12-13H,8-11H2,1H3,(H,22,30)