N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-3-propan-2-yloxy-benzamide

Systemtic Name: N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-3-propan-2-yloxy-benzamide Openeye Name: 3-isopropoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide CAS Name: N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-3-propan-2-yloxybenzamide Traditional Name: 3-isopropoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-15(2)29-19-5-3-4-16(14-19)20(26)22-21(30)24-12-10-23(11-13-24)17-6-8-18(9-7-17)25(27)28/h3-9,14-15H,10-13H2,1-2H3,(H,22,26,30)