N-[5-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]pyridin-2-yl]-2-methyl-benzamide

Systemtic Name: N-[5-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]pyridin-2-yl]-2-methyl-benzamide Openeye Name: N-[5-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]-2-pyridyl]-2-methyl-benzamide CAS Name: N-[5-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-2-pyridinyl]-2-methylbenzamide IUPAC Name: N-[5-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]pyridin-2-yl]-2-methylbenzamide Traditional Name: N-[5-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]-2-pyridyl]-2-methyl-benzamide Formula: C22H21ClN4O3S MolecularWeight: 456.94514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=NC=C(C=C2)NC(=S)NC3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=NC=C(C=C2)NC(=S)NC3=CC(=C(C=C3OC)OC)Cl

InChI

InChI=1S/C22H21ClN4O3S/c1-13-6-4-5-7-15(13)21(28)27-20-9-8-14(12-24-20)25-22(31)26-17-10-16(23)18(29-2)11-19(17)30-3/h4-12H,1-3H3,(H,24,27,28)(H2,25,26,31)