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

Systemtic Name: (E)-N-[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: (E)-N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-(4-isopropylphenyl)prop-2-enamide CAS Name: (E)-N-[3-chloro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-N-[3-chloro-4-[4-(2-thenoyl)piperazino]phenyl]-3-p-cumenyl-acrylamide Formula: C27H28ClN3O2S MolecularWeight: 494.04812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C27H28ClN3O2S/c1-19(2)21-8-5-20(6-9-21)7-12-26(32)29-22-10-11-24(23(28)18-22)30-13-15-31(16-14-30)27(33)25-4-3-17-34-25/h3-12,17-19H,13-16H2,1-2H3,(H,29,32)/b12-7+