N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-methyl-butyramide Formula: C17H23N3OS2 MolecularWeight: 349.51402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C17H23N3OS2/c1-4-5-6-12-7-8-13-14(10-12)23-17(18-13)20-16(22)19-15(21)9-11(2)3/h7-8,10-11H,4-6,9H2,1-3H3,(H2,18,19,20,21,22)