3-(aminocarbonylamino)-3-(3-bromophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide

Systemtic Name: 3-(aminocarbonylamino)-3-(3-bromophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide Openeye Name: 3-(3-bromophenyl)-N-[2-(p-tolylsulfanyl)ethyl]-3-ureido-propanamide CAS Name: 3-(3-bromophenyl)-3-(carbamoylamino)-N-[2-[(4-methylphenyl)thio]ethyl]propanamide IUPAC Name: 3-(3-bromophenyl)-3-(carbamoylamino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide Traditional Name: 3-(3-bromophenyl)-N-[2-(p-tolylthio)ethyl]-3-ureido-propionamide Formula: C19H22BrN3O2S MolecularWeight: 436.36588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CC(C2=CC(=CC=C2)Br)NC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CC(C2=CC(=CC=C2)Br)NC(=O)N

InChI

InChI=1S/C19H22BrN3O2S/c1-13-5-7-16(8-6-13)26-10-9-22-18(24)12-17(23-19(21)25)14-3-2-4-15(20)11-14/h2-8,11,17H,9-10,12H2,1H3,(H,22,24)(H3,21,23,25)