2-(1,3-benzoxazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-2-piperazin-1-yl-butanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-2-piperazin-1-yl-butanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]-2-piperazin-1-yl-butanamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-2-(1-piperazinyl)butanamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-2-piperazin-1-ylbutanamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[6-methyl-2,4-bis(methylthio)-3-pyridyl]-2-piperazino-butyramide Formula: C23H29N5O2S3 MolecularWeight: 503.70366

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(N=C(C=C1SC)C)SC)(N2CCNCC2)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCC(C(=O)NC1=C(N=C(C=C1SC)C)SC)(N2CCNCC2)SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H29N5O2S3/c1-5-23(28-12-10-24-11-13-28,33-22-26-16-8-6-7-9-17(16)30-22)21(29)27-19-18(31-3)14-15(2)25-20(19)32-4/h6-9,14,24H,5,10-13H2,1-4H3,(H,27,29)