N-[(3-phenylmethoxyphenyl)carbamothioyl]-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-[(3-phenylmethoxyphenyl)carbamothioyl]-1,3-benzothiazole-2-carboxamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-1,3-benzothiazole-2-carboxamide CAS Name: N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[(3-phenylmethoxyphenyl)carbamothioyl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-1,3-benzothiazole-2-carboxamide Formula: C22H17N3O2S2 MolecularWeight: 419.51928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=S)NC(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=S)NC(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H17N3O2S2/c26-20(21-24-18-11-4-5-12-19(18)29-21)25-22(28)23-16-9-6-10-17(13-16)27-14-15-7-2-1-3-8-15/h1-13H,14H2,(H2,23,25,26,28)