4-butoxy-N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[(4,7-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(C=CC(=C3S2)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(C=CC(=C3S2)C)C

InChI

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