3-(aminocarbonylamino)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(2-methylphenyl)propanamide

Systemtic Name: 3-(aminocarbonylamino)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(2-methylphenyl)propanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(o-tolyl)-3-ureido-propanamide CAS Name: 3-(carbamoylamino)-N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-(2-methylphenyl)propanamide IUPAC Name: 3-(carbamoylamino)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(2-methylphenyl)propanamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-(o-tolyl)-3-ureido-propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)NCCSCC2=CC=CC=C2C#N)NC(=O)N

Isomeric SMILES

CC1=CC=CC=C1C(CC(=O)NCCSCC2=CC=CC=C2C#N)NC(=O)N

InChI

InChI=1S/C21H24N4O2S/c1-15-6-2-5-9-18(15)19(25-21(23)27)12-20(26)24-10-11-28-14-17-8-4-3-7-16(17)13-22/h2-9,19H,10-12,14H2,1H3,(H,24,26)(H3,23,25,27)