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

Systemtic Name: N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[[(4,7-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-methyl-butyramide Formula: C15H19N3OS2 MolecularWeight: 321.46086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3OS2/c1-8(2)7-11(19)16-14(20)18-15-17-12-9(3)5-6-10(4)13(12)21-15/h5-6,8H,7H2,1-4H3,(H2,16,17,18,19,20)