3-(aminocarbonylamino)-N-[3-(1,3-dithian-2-yl)phenyl]-3-(2-methylphenyl)propanamide

Systemtic Name: 3-(aminocarbonylamino)-N-[3-(1,3-dithian-2-yl)phenyl]-3-(2-methylphenyl)propanamide Openeye Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-(o-tolyl)-3-ureido-propanamide CAS Name: 3-(carbamoylamino)-N-[3-(1,3-dithian-2-yl)phenyl]-3-(2-methylphenyl)propanamide IUPAC Name: 3-(carbamoylamino)-N-[3-(1,3-dithian-2-yl)phenyl]-3-(2-methylphenyl)propanamide Traditional Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-(o-tolyl)-3-ureido-propionamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)NC2=CC=CC(=C2)C3SCCCS3)NC(=O)N

Isomeric SMILES

CC1=CC=CC=C1C(CC(=O)NC2=CC=CC(=C2)C3SCCCS3)NC(=O)N

InChI

InChI=1S/C21H25N3O2S2/c1-14-6-2-3-9-17(14)18(24-21(22)26)13-19(25)23-16-8-4-7-15(12-16)20-27-10-5-11-28-20/h2-4,6-9,12,18,20H,5,10-11,13H2,1H3,(H,23,25)(H3,22,24,26)