N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-propanamide Openeye Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]propanamide CAS Name: N-[(2,4-dimethylanilino)-oxomethyl]-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]propanamide IUPAC Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylpropanamide Traditional Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]propionamide Formula: C22H29N5O4S2 MolecularWeight: 491.62676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)C

InChI

InChI=1S/C22H29N5O4S2/c1-15-5-7-19(16(2)13-15)24-22(29)25-21(28)17(3)32-20-8-6-18(14-23-20)33(30,31)27-11-9-26(4)10-12-27/h5-8,13-14,17H,9-12H2,1-4H3,(H2,24,25,28,29)