N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)CC(C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)CC(C)C)C2=NC3=CC=CC=C3S2

InChI

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