N-(2-chloranyl-6-methyl-phenyl)-2-[2-(1-methylpyrrol-2-yl)ethanoylamino]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[2-(1-methylpyrrol-2-yl)ethanoylamino]-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-[[2-(1-methylpyrrol-2-yl)acetyl]amino]-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[2-(1-methyl-2-pyrrolyl)-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[2-(1-methylpyrrol-2-yl)acetyl]amino]-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-[[2-(1-methylpyrrol-2-yl)acetyl]amino]-1,3-benzothiazole-6-carboxamide Formula: C22H19ClN4O2S MolecularWeight: 438.92986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CC4=CC=CN4C

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CC4=CC=CN4C

InChI

InChI=1S/C22H19ClN4O2S/c1-13-5-3-7-16(23)20(13)26-21(29)14-8-9-17-18(11-14)30-22(24-17)25-19(28)12-15-6-4-10-27(15)2/h3-11H,12H2,1-2H3,(H,26,29)(H,24,25,28)