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

Systemtic Name: 3,4-dimethyl-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3,4-dimethyl-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3,4-dimethyl-N-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dimethyl-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3,4-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=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)C

Isomeric SMILES

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

InChI

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