3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]propanamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]propanamide Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfanyl-N-[1-[3-methoxy-4-(4-pyridylmethoxy)phenyl]ethyl]propanamide CAS Name: 3-[(2-amino-2-oxoethyl)thio]-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]propanamide IUPAC Name: 3-(2-amino-2-oxoethyl)sulfanyl-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]propanamide Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]-N-[1-[3-methoxy-4-(4-pyridylmethoxy)phenyl]ethyl]propionamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OCC2=CC=NC=C2)OC)NC(=O)CCSCC(=O)N

Isomeric SMILES

CC(C1=CC(=C(C=C1)OCC2=CC=NC=C2)OC)NC(=O)CCSCC(=O)N

InChI

InChI=1S/C20H25N3O4S/c1-14(23-20(25)7-10-28-13-19(21)24)16-3-4-17(18(11-16)26-2)27-12-15-5-8-22-9-6-15/h3-6,8-9,11,14H,7,10,12-13H2,1-2H3,(H2,21,24)(H,23,25)