4-azanyl-2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-3-methanethioyl-6-methyl-5-pyridin-2-yl-benzamide

Systemtic Name: 4-azanyl-2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-3-methanethioyl-6-methyl-5-pyridin-2-yl-benzamide Openeye Name: 4-amino-2-(5-chloro-2,4-dimethoxy-anilino)-3-methanethioyl-6-methyl-5-(2-pyridyl)benzamide CAS Name: 4-amino-2-(5-chloro-2,4-dimethoxyanilino)-3-methanethioyl-6-methyl-5-(2-pyridinyl)benzamide IUPAC Name: 4-amino-2-(5-chloro-2,4-dimethoxyanilino)-3-methanethioyl-6-methyl-5-pyridin-2-ylbenzamide Traditional Name: 4-amino-2-(5-chloro-2,4-dimethoxy-anilino)-6-methyl-5-(2-pyridyl)-3-thioformyl-benzamide Formula: C22H21ClN4O3S MolecularWeight: 456.94514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C(=O)N)NC2=CC(=C(C=C2OC)OC)Cl)C=S)N)C3=CC=CC=N3

Isomeric SMILES

CC1=C(C(=C(C(=C1C(=O)N)NC2=CC(=C(C=C2OC)OC)Cl)C=S)N)C3=CC=CC=N3

InChI

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