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

Systemtic Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-3-propan-2-yloxy-benzamide Openeye Name: 3-isopropoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]-3-propan-2-yloxybenzamide Traditional Name: 3-isopropoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5S/c1-15(2)31-18-6-4-5-16(13-18)21(27)23-22(32)25-11-9-24(10-12-25)19-8-7-17(30-3)14-20(19)26(28)29/h4-8,13-15H,9-12H2,1-3H3,(H,23,27,32)