(E)-N-[[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[3-chloro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[3-chloro-4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C25H23ClN4O2S2 MolecularWeight: 511.05872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3)Cl)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3)Cl)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H23ClN4O2S2/c26-20-17-19(27-25(33)28-23(31)11-8-18-5-2-1-3-6-18)9-10-21(20)29-12-14-30(15-13-29)24(32)22-7-4-16-34-22/h1-11,16-17H,12-15H2,(H2,27,28,31,33)/b11-8+