N1-(phenylmethyl)-N2-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzene-1,2-dicarboxamide

Systemtic Name: N1-(phenylmethyl)-N2-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzene-1,2-dicarboxamide Openeye Name: N1-benzyl-N2-(2-thioxo-3H-1,3-benzothiazol-6-yl)phthalamide CAS Name: N1-(phenylmethyl)-N2-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzene-1,2-dicarboxamide IUPAC Name: 1-N-benzyl-2-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzene-1,2-dicarboxamide Traditional Name: N-benzyl-N'-(2-thioxo-3H-1,3-benzothiazol-6-yl)phthalamide Formula: C22H17N3O2S2 MolecularWeight: 419.51928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)NC(=S)S4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)NC(=S)S4

InChI

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