N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-propanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-propanamide Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]thio]propanamide IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 2-[[2-(4-benzylpiperazino)-2-keto-ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3S/c1-15-12-18(22-27-15)21-20(26)16(2)28-14-19(25)24-10-8-23(9-11-24)13-17-6-4-3-5-7-17/h3-7,12,16H,8-11,13-14H2,1-2H3,(H,21,22,26)