N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-3-phenyl-propionamide Formula: C23H19N3OS2 MolecularWeight: 417.54646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3OS2/c27-21(14-13-16-7-2-1-3-8-16)26-23(28)24-18-10-6-9-17(15-18)22-25-19-11-4-5-12-20(19)29-22/h1-12,15H,13-14H2,(H2,24,26,27,28)