N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OC

InChI

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