4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide CAS Name: 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 4-(4-chlorobenzyl)oxy-3-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Formula: C26H25ClN4O5S MolecularWeight: 541.0185

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H25ClN4O5S/c1-35-24-16-19(4-11-23(24)36-17-18-2-5-20(27)6-3-18)25(32)28-26(37)30-14-12-29(13-15-30)21-7-9-22(10-8-21)31(33)34/h2-11,16H,12-15,17H2,1H3,(H,28,32,37)