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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)NCCSCC2=CC=CC=C2C#N)NC(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)NCCSCC2=CC=CC=C2C#N)NC(=O)N

InChI

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