N-aminocarbonyl-3-methyl-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-butanamide

Systemtic Name: N-aminocarbonyl-3-methyl-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-butanamide Openeye Name: N-carbamoyl-3-methyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]butanamide CAS Name: N-carbamoyl-3-methyl-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]butanamide IUPAC Name: N-carbamoyl-3-methyl-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylbutanamide Traditional Name: N-carbamoyl-3-methyl-2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]butyramide Formula: C16H25N5O4S2 MolecularWeight: 415.5308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)C

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)C

InChI

InChI=1S/C16H25N5O4S2/c1-11(2)14(15(22)19-16(17)23)26-13-5-4-12(10-18-13)27(24,25)21-8-6-20(3)7-9-21/h4-5,10-11,14H,6-9H2,1-3H3,(H3,17,19,22,23)