3-(aminocarbonylamino)-N-(4-cyclopentylsulfanylphenyl)-3-(3-methylphenyl)propanamide

Systemtic Name: 3-(aminocarbonylamino)-N-(4-cyclopentylsulfanylphenyl)-3-(3-methylphenyl)propanamide Openeye Name: N-(4-cyclopentylsulfanylphenyl)-3-(m-tolyl)-3-ureido-propanamide CAS Name: 3-(carbamoylamino)-N-[4-(cyclopentylthio)phenyl]-3-(3-methylphenyl)propanamide IUPAC Name: 3-(carbamoylamino)-N-(4-cyclopentylsulfanylphenyl)-3-(3-methylphenyl)propanamide Traditional Name: N-[4-(cyclopentylthio)phenyl]-3-(m-tolyl)-3-ureido-propionamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)NC2=CC=C(C=C2)SC3CCCC3)NC(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)NC2=CC=C(C=C2)SC3CCCC3)NC(=O)N

InChI

InChI=1S/C22H27N3O2S/c1-15-5-4-6-16(13-15)20(25-22(23)27)14-21(26)24-17-9-11-19(12-10-17)28-18-7-2-3-8-18/h4-6,9-13,18,20H,2-3,7-8,14H2,1H3,(H,24,26)(H3,23,25,27)