ethyl 2-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutylcarbamoylamino]ethanoate

Systemtic Name: ethyl 2-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutylcarbamoylamino]ethanoate Openeye Name: ethyl 2-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutylcarbamoylamino]acetate CAS Name: 2-[[oxo-[4-[(1,4,5-triphenyl-2-imidazolyl)thio]butylamino]methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutylcarbamoylamino]acetate Traditional Name: 2-[4-[(1,4,5-triphenylimidazol-2-yl)thio]butylcarbamoylamino]acetic acid ethyl ester Formula: C30H32N4O3S MolecularWeight: 528.66508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)NCCCCSC1=NC(=C(N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CNC(=O)NCCCCSC1=NC(=C(N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H32N4O3S/c1-2-37-26(35)22-32-29(36)31-20-12-13-21-38-30-33-27(23-14-6-3-7-15-23)28(24-16-8-4-9-17-24)34(30)25-18-10-5-11-19-25/h3-11,14-19H,2,12-13,20-22H2,1H3,(H2,31,32,36)