3-chloranyl-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]-6-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]-6-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[2-(m-tolyl)thiazol-4-yl]methyl]-6-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[2-(3-methylphenyl)-4-thiazolyl]methyl]-6-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]-6-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[2-(m-tolyl)thiazol-4-yl]methyl]-6-nitro-benzothiophene-2-carboxamide Formula: C20H14ClN3O3S2 MolecularWeight: 443.92646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=CS2)CNC(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=CS2)CNC(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H14ClN3O3S2/c1-11-3-2-4-12(7-11)20-23-13(10-28-20)9-22-19(25)18-17(21)15-6-5-14(24(26)27)8-16(15)29-18/h2-8,10H,9H2,1H3,(H,22,25)