N-[4-[2-(1-cyclopropylimidazol-2-yl)sulfanylethanoyl]phenyl]butanamide

Systemtic Name: N-[4-[2-(1-cyclopropylimidazol-2-yl)sulfanylethanoyl]phenyl]butanamide Openeye Name: N-[4-[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]phenyl]butanamide CAS Name: N-[4-[2-[(1-cyclopropyl-2-imidazolyl)thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: N-[4-[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]phenyl]butanamide Traditional Name: N-[4-[2-[(1-cyclopropylimidazol-2-yl)thio]acetyl]phenyl]butyramide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=CN2C3CC3

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=CN2C3CC3

InChI

InChI=1S/C18H21N3O2S/c1-2-3-17(23)20-14-6-4-13(5-7-14)16(22)12-24-18-19-10-11-21(18)15-8-9-15/h4-7,10-11,15H,2-3,8-9,12H2,1H3,(H,20,23)