2-[(Z)-2-cyano-1-(hexylamino)-3-(4-methylpiperazin-1-yl)-3-oxidanylidene-prop-1-enyl]sulfanyl-N-(2-methyl-6-propan-2-yl-phenyl)ethanamide

Systemtic Name: 2-[(Z)-2-cyano-1-(hexylamino)-3-(4-methylpiperazin-1-yl)-3-oxidanylidene-prop-1-enyl]sulfanyl-N-(2-methyl-6-propan-2-yl-phenyl)ethanamide Openeye Name: 2-[(Z)-2-cyano-1-(hexylamino)-3-(4-methylpiperazin-1-yl)-3-oxo-prop-1-enyl]sulfanyl-N-(2-isopropyl-6-methyl-phenyl)acetamide CAS Name: 2-[[(Z)-2-cyano-1-(hexylamino)-3-(4-methyl-1-piperazinyl)-3-oxoprop-1-enyl]thio]-N-(2-methyl-6-propan-2-ylphenyl)acetamide IUPAC Name: 2-[(Z)-2-cyano-1-(hexylamino)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide Traditional Name: 2-[[(Z)-2-cyano-1-(hexylamino)-3-keto-3-(4-methylpiperazino)prop-1-enyl]thio]-N-(2-isopropyl-6-methyl-phenyl)acetamide Formula: C27H41N5O2S MolecularWeight: 499.71174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=C(C#N)C(=O)N1CCN(CC1)C)SCC(=O)NC2=C(C=CC=C2C(C)C)C

Isomeric SMILES

CCCCCCN/C(=C(\C#N)/C(=O)N1CCN(CC1)C)/SCC(=O)NC2=C(C=CC=C2C(C)C)C

InChI

InChI=1S/C27H41N5O2S/c1-6-7-8-9-13-29-26(23(18-28)27(34)32-16-14-31(5)15-17-32)35-19-24(33)30-25-21(4)11-10-12-22(25)20(2)3/h10-12,20,29H,6-9,13-17,19H2,1-5H3,(H,30,33)/b26-23-