N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-2-[[2-keto-2-(p-toluidino)ethyl]thio]propionamide Formula: C25H34N4O2S MolecularWeight: 454.62806

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C(C)SCC(=O)NC3=CC=C(C=C3)C)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C(C)SCC(=O)NC3=CC=C(C=C3)C)C

InChI

InChI=1S/C25H34N4O2S/c1-5-28-12-14-29(15-13-28)22-10-11-23(19(3)16-22)27-25(31)20(4)32-17-24(30)26-21-8-6-18(2)7-9-21/h6-11,16,20H,5,12-15,17H2,1-4H3,(H,26,30)(H,27,31)