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

Systemtic Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S/c1-15(2)16-4-6-17(7-5-16)21(27)23-22(31)25-12-10-24(11-13-25)19-9-8-18(30-3)14-20(19)26(28)29/h4-9,14-15H,10-13H2,1-3H3,(H,23,27,31)