4-chloranyl-N-[(4-methylpyrimidin-2-yl)carbamothioyl]-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[(4-methylpyrimidin-2-yl)carbamothioyl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[(4-methylpyrimidin-2-yl)carbamothioyl]-3-morpholinosulfonyl-benzamide CAS Name: 4-chloro-N-[[(4-methyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[(4-methylpyrimidin-2-yl)carbamothioyl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[(4-methylpyrimidin-2-yl)thiocarbamoyl]-3-morpholinosulfonyl-benzamide Formula: C17H18ClN5O4S2 MolecularWeight: 455.93892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=NC(=NC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H18ClN5O4S2/c1-11-4-5-19-16(20-11)22-17(28)21-15(24)12-2-3-13(18)14(10-12)29(25,26)23-6-8-27-9-7-23/h2-5,10H,6-9H2,1H3,(H2,19,20,21,22,24,28)