N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-yl-ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-yl-ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(2S)-2-(azepan-1-yl)-2-(2-thienyl)ethyl]-5-(p-tolyl)isoxazole-3-carboxamide CAS Name: N-[(2S)-2-(1-azepanyl)-2-thiophen-2-ylethyl]-5-(4-methylphenyl)-3-isoxazolecarboxamide IUPAC Name: N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[(2S)-2-(azepan-1-yl)-2-(2-thienyl)ethyl]-5-(p-tolyl)isoxazole-3-carboxamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC(C3=CC=CS3)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC[C@@H](C3=CC=CS3)N4CCCCCC4

InChI

InChI=1S/C23H27N3O2S/c1-17-8-10-18(11-9-17)21-15-19(25-28-21)23(27)24-16-20(22-7-6-14-29-22)26-12-4-2-3-5-13-26/h6-11,14-15,20H,2-5,12-13,16H2,1H3,(H,24,27)/t20-/m0/s1