N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-methyl-pentanamide

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-methyl-pentanamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-methyl-pentanamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-methylpentanamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-methylpentanamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-methyl-valeramide Formula: C18H25N3OS2 MolecularWeight: 363.5406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3OS2/c1-4-5-6-13-8-9-14-15(11-13)24-18(19-14)21-17(23)20-16(22)10-7-12(2)3/h8-9,11-12H,4-7,10H2,1-3H3,(H2,19,20,21,22,23)