N-(2-cyclopentylsulfanylphenyl)-3-[(4-methoxyphenyl)carbamoylamino]propanamide

Systemtic Name: N-(2-cyclopentylsulfanylphenyl)-3-[(4-methoxyphenyl)carbamoylamino]propanamide Openeye Name: N-(2-cyclopentylsulfanylphenyl)-3-[(4-methoxyphenyl)carbamoylamino]propanamide CAS Name: N-[2-(cyclopentylthio)phenyl]-3-[[(4-methoxyanilino)-oxomethyl]amino]propanamide IUPAC Name: N-(2-cyclopentylsulfanylphenyl)-3-[(4-methoxyphenyl)carbamoylamino]propanamide Traditional Name: N-[2-(cyclopentylthio)phenyl]-3-[(4-methoxyphenyl)carbamoylamino]propionamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NCCC(=O)NC2=CC=CC=C2SC3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NCCC(=O)NC2=CC=CC=C2SC3CCCC3

InChI

InChI=1S/C22H27N3O3S/c1-28-17-12-10-16(11-13-17)24-22(27)23-15-14-21(26)25-19-8-4-5-9-20(19)29-18-6-2-3-7-18/h4-5,8-13,18H,2-3,6-7,14-15H2,1H3,(H,25,26)(H2,23,24,27)