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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[2-(4-phenylpiperazin-1-yl)ethylamino]ethyl]sulfanyl-propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)ethylamino]ethyl]sulfanyl-propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-oxo-2-[2-(4-phenyl-1-piperazinyl)ethylamino]ethyl]thio]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)ethylamino]ethyl]sulfanylpropanamide Traditional Name: 2-[[2-keto-2-[2-(4-phenylpiperazino)ethylamino]ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NCCN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NCCN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H29N5O3S/c1-16-14-19(24-29-16)23-21(28)17(2)30-15-20(27)22-8-9-25-10-12-26(13-11-25)18-6-4-3-5-7-18/h3-7,14,17H,8-13,15H2,1-2H3,(H,22,27)(H,23,24,28)