N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: N-[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: N-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C27H30N4O4S2 MolecularWeight: 538.6815

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3OCCC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3OCCC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O4S2/c1-30-16-18-31(19-17-30)37(33,34)23-13-11-22(12-14-23)28-27(36)29-26(32)24-9-5-6-10-25(24)35-20-15-21-7-3-2-4-8-21/h2-14H,15-20H2,1H3,(H2,28,29,32,36)