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

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-4-[(4-chlorophenyl)methoxy]-3-methoxy-benzamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-4-[(4-chlorophenyl)methoxy]-3-methoxy-benzamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide Traditional Name: 4-(4-chlorobenzyl)oxy-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-methoxy-benzamide Formula: C26H24Cl2N4O5S MolecularWeight: 575.46356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24Cl2N4O5S/c1-36-24-14-18(4-9-23(24)37-16-17-2-5-19(27)6-3-17)25(33)29-26(38)31-12-10-30(11-13-31)22-8-7-20(32(34)35)15-21(22)28/h2-9,14-15H,10-13,16H2,1H3,(H,29,33,38)