N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[4-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[4-(4-mesylpiperazino)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C22H28N4O4S2 MolecularWeight: 476.61212

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C22H28N4O4S2/c1-3-16-30-20-10-4-17(5-11-20)21(27)24-22(31)23-18-6-8-19(9-7-18)25-12-14-26(15-13-25)32(2,28)29/h4-11H,3,12-16H2,1-2H3,(H2,23,24,27,31)