N-[(6-oxidanyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[(6-oxidanyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[(6-hydroxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: N-[[(6-hydroxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[(6-hydroxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[(6-hydroxy-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NC3=NC4=C(S3)C=C(C=C4)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NC3=NC4=C(S3)C=C(C=C4)O

InChI

InChI=1S/C22H17N3O3S2/c26-16-8-11-18-19(12-16)30-22(23-18)25-21(29)24-20(27)15-6-9-17(10-7-15)28-13-14-4-2-1-3-5-14/h1-12,26H,13H2,(H2,23,24,25,27,29)