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

Systemtic Name: 4-butoxy-N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[(6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[(6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)C

InChI

InChI=1S/C20H21N3O2S2/c1-3-4-11-25-15-8-6-14(7-9-15)18(24)22-19(26)23-20-21-16-10-5-13(2)12-17(16)27-20/h5-10,12H,3-4,11H2,1-2H3,(H2,21,22,23,24,26)