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

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-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(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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