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

Systemtic Name: N-[[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[3-chloro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[[3-chloro-4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]-3-ethoxy-benzamide Formula: C25H25ClN4O3S2 MolecularWeight: 529.074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)Cl

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C25H25ClN4O3S2/c1-2-33-19-6-3-5-17(15-19)23(31)28-25(34)27-18-8-9-21(20(26)16-18)29-10-12-30(13-11-29)24(32)22-7-4-14-35-22/h3-9,14-16H,2,10-13H2,1H3,(H2,27,28,31,34)