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

Systemtic Name: 4-tert-butyl-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c1-21(2,3)13-8-6-12(7-9-13)18(25)23-19(28)24-20-22-17-15(27-5)10-14(26-4)11-16(17)29-20/h6-11H,1-5H3,(H2,22,23,24,25,28)