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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC(C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC(C)C)C

InChI

InChI=1S/C21H23N3O2S2/c1-12(2)11-26-16-7-5-6-15(10-16)19(25)23-20(27)24-21-22-18-14(4)8-13(3)9-17(18)28-21/h5-10,12H,11H2,1-4H3,(H2,22,23,24,25,27)