N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-4-oxidanylidene-4-phenyl-butanamide

Systemtic Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-4-oxidanylidene-4-phenyl-butanamide Openeye Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-4-oxo-4-phenyl-butanamide CAS Name: N-[4-(1-azepanylmethyl)-2-thiazolyl]-4-oxo-4-phenylbutanamide IUPAC Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide Traditional Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-4-keto-4-phenyl-butyramide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CSC(=N2)NC(=O)CCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)CC2=CSC(=N2)NC(=O)CCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S/c24-18(16-8-4-3-5-9-16)10-11-19(25)22-20-21-17(15-26-20)14-23-12-6-1-2-7-13-23/h3-5,8-9,15H,1-2,6-7,10-14H2,(H,21,22,25)