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

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3,5-diethoxy-benzamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3,5-diethoxy-benzamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-3,5-diethoxybenzamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3,5-diethoxybenzamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-3,5-diethoxy-benzamide Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)OCC

InChI

InChI=1S/C25H23N3O3S2/c1-3-30-19-13-17(14-20(15-19)31-4-2)23(29)28-25(32)26-18-9-7-8-16(12-18)24-27-21-10-5-6-11-22(21)33-24/h5-15H,3-4H2,1-2H3,(H2,26,28,29,32)