N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-4-propan-2-yl-benzamide

Systemtic Name: N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide CAS Name: N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O3S/c1-15(2)16-3-5-17(6-4-16)20(26)22-21(29)24-13-11-23(12-14-24)18-7-9-19(10-8-18)25(27)28/h3-10,15H,11-14H2,1-2H3,(H,22,26,29)