N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

Systemtic Name: N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-isopropylphenyl)prop-2-enamide CAS Name: N-[[3-chloro-2-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: N-[[3-chloro-2-(4-ethylpiperazino)phenyl]thiocarbamoyl]-3-p-cumenyl-acrylamide Formula: C25H31ClN4OS MolecularWeight: 471.05784

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C=CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C=CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C25H31ClN4OS/c1-4-29-14-16-30(17-15-29)24-21(26)6-5-7-22(24)27-25(32)28-23(31)13-10-19-8-11-20(12-9-19)18(2)3/h5-13,18H,4,14-17H2,1-3H3,(H2,27,28,31,32)