N-(ethylcarbamoyl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(ethylcarbamoyl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(ethylcarbamoyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]propanamide CAS Name: N-(ethylcarbamoyl)-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]propanamide IUPAC Name: N-(ethylcarbamoyl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylpropanamide Traditional Name: N-(ethylcarbamoyl)-2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]propionamide Formula: C16H25N5O4S2 MolecularWeight: 415.5308

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)SC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)C

Isomeric SMILES

CCNC(=O)NC(=O)C(C)SC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)C

InChI

InChI=1S/C16H25N5O4S2/c1-4-17-16(23)19-15(22)12(2)26-14-6-5-13(11-18-14)27(24,25)21-9-7-20(3)8-10-21/h5-6,11-12H,4,7-10H2,1-3H3,(H2,17,19,22,23)