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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-2-piperazin-1-yl-butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]-2-piperazin-1-yl-butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-2-(1-piperazinyl)butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-2-piperazin-1-ylbutanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[6-methyl-2,4-bis(methylthio)-3-pyridyl]-2-piperazino-butyramide Formula: C23H29N5OS4 MolecularWeight: 519.76926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)SC)NC(=O)C(CCSC2=NC3=CC=CC=C3S2)N4CCNCC4)SC

Isomeric SMILES

CC1=NC(=C(C(=C1)SC)NC(=O)C(CCSC2=NC3=CC=CC=C3S2)N4CCNCC4)SC

InChI

InChI=1S/C23H29N5OS4/c1-15-14-19(30-2)20(22(25-15)31-3)27-21(29)17(28-11-9-24-10-12-28)8-13-32-23-26-16-6-4-5-7-18(16)33-23/h4-7,14,17,24H,8-13H2,1-3H3,(H,27,29)