2-[2-(ethylamino)propanethioyl-(phenylmethyl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-(ethylamino)propanethioyl-(phenylmethyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[benzyl-[2-(ethylamino)propanethioyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(ethylamino)-1-sulfanylidenepropyl]-(phenylmethyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[benzyl-[2-(ethylamino)propanethioyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[benzyl-[2-(ethylamino)propanethioyl]amino]-3-phenyl-propionic acid Formula: C21H26N2O2S MolecularWeight: 370.50834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(C)C(=S)N(CC1=CC=CC=C1)C(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCNC(C)C(=S)N(CC1=CC=CC=C1)C(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H26N2O2S/c1-3-22-16(2)20(26)23(15-18-12-8-5-9-13-18)19(21(24)25)14-17-10-6-4-7-11-17/h4-13,16,19,22H,3,14-15H2,1-2H3,(H,24,25)