N-[(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide

Systemtic Name: N-[(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: N-[(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: N-[[(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: N-[(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C22H17N3O2S2 MolecularWeight: 419.51928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3=CC=CC=C3)SC(=N2)NC(=S)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(C=C1)C3=CC=CC=C3)SC(=N2)NC(=S)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O2S2/c1-27-17-13-12-16(14-8-4-2-5-9-14)19-18(17)23-22(29-19)25-21(28)24-20(26)15-10-6-3-7-11-15/h2-13H,1H3,(H2,23,24,25,26,28)