N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-phenylsulfanyl-propanamide

Systemtic Name: N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-phenylsulfanyl-propanamide Openeye Name: 2-phenylsulfanyl-N-[4-(tetrahydrofuran-2-ylmethylcarbamoylamino)phenyl]propanamide CAS Name: N-[4-[[oxo-(2-oxolanylmethylamino)methyl]amino]phenyl]-2-(phenylthio)propanamide IUPAC Name: N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-phenylsulfanylpropanamide Traditional Name: 2-(phenylthio)-N-[4-(tetrahydrofurfurylcarbamoylamino)phenyl]propionamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)NCC2CCCO2)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)NCC2CCCO2)SC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-15(28-19-7-3-2-4-8-19)20(25)23-16-9-11-17(12-10-16)24-21(26)22-14-18-6-5-13-27-18/h2-4,7-12,15,18H,5-6,13-14H2,1H3,(H,23,25)(H2,22,24,26)