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

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C26H25N3O2S2 MolecularWeight: 475.6256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2S2/c1-2-3-7-18-10-15-22-23(16-18)33-26(27-22)29-25(32)28-24(30)20-11-13-21(14-12-20)31-17-19-8-5-4-6-9-19/h4-6,8-16H,2-3,7,17H2,1H3,(H2,27,28,29,30,32)