N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-2-chloranyl-4-methyl-benzamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-2-chloranyl-4-methyl-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-2-chloro-4-methyl-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-2-chloro-4-methylbenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]-2-chloro-4-methylbenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-2-chloro-4-methyl-benzamide Formula: C23H18ClN3O2S2 MolecularWeight: 467.99092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)OC)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)OC)Cl

InChI

InChI=1S/C23H18ClN3O2S2/c1-13-7-9-15(16(24)11-13)21(28)27-23(30)26-18-12-14(8-10-19(18)29-2)22-25-17-5-3-4-6-20(17)31-22/h3-12H,1-2H3,(H2,26,27,28,30)