3,5-dimethyl-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-dimethyl-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dimethyl-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dimethyl-N-[[4-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dimethyl-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(4-mesylpiperazino)phenyl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C21H26N4O3S2/c1-15-12-16(2)14-17(13-15)20(26)23-21(29)22-18-4-6-19(7-5-18)24-8-10-25(11-9-24)30(3,27)28/h4-7,12-14H,8-11H2,1-3H3,(H2,22,23,26,29)