N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]butanamide

Systemtic Name: N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]butanamide Openeye Name: N-(2-isopentylsulfanyl-1,3-benzothiazol-6-yl)butanamide CAS Name: N-[2-(3-methylbutylthio)-1,3-benzothiazol-6-yl]butanamide IUPAC Name: N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]butanamide Traditional Name: N-[2-(isoamylthio)-1,3-benzothiazol-6-yl]butyramide Formula: C16H22N2OS2 MolecularWeight: 322.48868

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC(C)C

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC(C)C

InChI

InChI=1S/C16H22N2OS2/c1-4-5-15(19)17-12-6-7-13-14(10-12)21-16(18-13)20-9-8-11(2)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,19)