N-methyl-4-[2-(4-methylpiperazin-2-yl)ethanoylamino]-3-oxidanyl-N-(sulfanylmethyl)pentanamide

Systemtic Name: N-methyl-4-[2-(4-methylpiperazin-2-yl)ethanoylamino]-3-oxidanyl-N-(sulfanylmethyl)pentanamide Openeye Name: 3-hydroxy-N-methyl-4-[[2-(4-methylpiperazin-2-yl)acetyl]amino]-N-(sulfanylmethyl)pentanamide CAS Name: 3-hydroxy-N-(mercaptomethyl)-N-methyl-4-[[2-(4-methyl-2-piperazinyl)-1-oxoethyl]amino]pentanamide IUPAC Name: 3-hydroxy-N-methyl-4-[[2-(4-methylpiperazin-2-yl)acetyl]amino]-N-(sulfanylmethyl)pentanamide Traditional Name: 3-hydroxy-N-(mercaptomethyl)-N-methyl-4-[[2-(4-methylpiperazin-2-yl)acetyl]amino]valeramide Formula: C14H28N4O3S MolecularWeight: 332.46212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC(=O)N(C)CS)O)NC(=O)CC1CN(CCN1)C

Isomeric SMILES

CC(C(CC(=O)N(C)CS)O)NC(=O)CC1CN(CCN1)C

InChI

InChI=1S/C14H28N4O3S/c1-10(12(19)7-14(21)18(3)9-22)16-13(20)6-11-8-17(2)5-4-15-11/h10-12,15,19,22H,4-9H2,1-3H3,(H,16,20)