4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[4-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-(4-chlorobenzyl)oxy-3-methoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]benzamide Formula: C27H30ClN4O3S+ MolecularWeight: 526.0701

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Cl)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C27H29ClN4O3S/c1-31-13-15-32(16-14-31)23-10-8-22(9-11-23)29-27(36)30-26(33)20-5-12-24(25(17-20)34-2)35-18-19-3-6-21(28)7-4-19/h3-12,17H,13-16,18H2,1-2H3,(H2,29,30,33,36)/p+1