N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-methyl-butanamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-methyl-butanamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-methylbutanamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-3-methyl-butyramide Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3OS2/c1-13(2)11-18(24)23-20(25)21-12-14-7-9-15(10-8-14)19-22-16-5-3-4-6-17(16)26-19/h3-10,13H,11-12H2,1-2H3,(H2,21,23,24,25)