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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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