N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NCC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NCC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21N3OS2/c1-20(2,3)18(24)23-19(25)21-12-13-8-10-14(11-9-13)17-22-15-6-4-5-7-16(15)26-17/h4-11H,12H2,1-3H3,(H2,21,23,24,25)