3,5-dimethyl-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-dimethyl-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dimethyl-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3,5-dimethyl-N-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dimethyl-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dimethyl-N-[[4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C25H26N4O2S2 MolecularWeight: 478.62954

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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)C(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)C

InChI

InChI=1S/C25H26N4O2S2/c1-17-14-18(2)16-19(15-17)23(30)27-25(32)26-20-5-7-21(8-6-20)28-9-11-29(12-10-28)24(31)22-4-3-13-33-22/h3-8,13-16H,9-12H2,1-2H3,(H2,26,27,30,32)