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

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-methoxy-3-methyl-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=C(C(=CC=C3)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S2/c1-4-5-8-14-10-11-16-17(12-14)28-21(22-16)24-20(27)23-19(25)15-9-6-7-13(2)18(15)26-3/h6-7,9-12H,4-5,8H2,1-3H3,(H2,22,23,24,25,27)