N-[[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[3-chloro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[[3-chloro-4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C25H25ClN4O4S2 MolecularWeight: 545.0734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)Cl

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C25H25ClN4O4S2/c1-33-19-5-3-6-20(34-2)22(19)23(31)28-25(35)27-16-8-9-18(17(26)15-16)29-10-12-30(13-11-29)24(32)21-7-4-14-36-21/h3-9,14-15H,10-13H2,1-2H3,(H2,27,28,31,35)