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

Systemtic Name: (E)-3-(4-propan-2-ylphenyl)-N-[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]prop-2-enamide Openeye Name: (E)-3-(4-isopropylphenyl)-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]prop-2-enamide CAS Name: (E)-N-[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-3-(4-propan-2-ylphenyl)-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]prop-2-enamide Traditional Name: (E)-3-p-cumenyl-N-[4-[4-(2-thenoyl)piperazino]phenyl]acrylamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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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

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

InChI

InChI=1S/C27H29N3O2S/c1-20(2)22-8-5-21(6-9-22)7-14-26(31)28-23-10-12-24(13-11-23)29-15-17-30(18-16-29)27(32)25-4-3-19-33-25/h3-14,19-20H,15-18H2,1-2H3,(H,28,31)/b14-7+