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

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S2/c1-3-5-6-14-7-12-17-18(13-14)28-21(22-17)24-20(27)23-19(25)15-8-10-16(11-9-15)26-4-2/h7-13H,3-6H2,1-2H3,(H2,22,23,24,25,27)