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

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-propoxybenzamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-propoxy-benzamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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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)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S2/c1-3-5-6-15-7-12-18-19(14-15)29-22(23-18)25-21(28)24-20(26)16-8-10-17(11-9-16)27-13-4-2/h7-12,14H,3-6,13H2,1-2H3,(H2,23,24,25,26,28)