3-methyl-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]butanamide Openeye Name: 3-methyl-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide CAS Name: 3-methyl-N-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide Traditional Name: 3-methyl-N-[[4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]butyramide Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S2/c1-15(2)14-19(26)23-21(28)22-16-5-7-17(8-6-16)24-9-11-25(12-10-24)20(27)18-4-3-13-29-18/h3-8,13,15H,9-12,14H2,1-2H3,(H2,22,23,26,28)