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

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methylbenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C23H19N3OS2 MolecularWeight: 417.54646

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3OS2/c1-14-7-10-16(11-8-14)21(27)26-23(28)25-19-13-17(12-9-15(19)2)22-24-18-5-3-4-6-20(18)29-22/h3-13H,1-2H3,(H2,25,26,27,28)