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

Systemtic Name: 2,2-dimethyl-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]propanamide Openeye Name: 2,2-dimethyl-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide CAS Name: 2,2-dimethyl-N-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 2,2-dimethyl-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide Traditional Name: 2,2-dimethyl-N-[[4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]propionamide Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H26N4O2S2/c1-21(2,3)19(27)23-20(28)22-15-6-8-16(9-7-15)24-10-12-25(13-11-24)18(26)17-5-4-14-29-17/h4-9,14H,10-13H2,1-3H3,(H2,22,23,27,28)