carboxy-[2-[1-(triphenylmethyl)sulfanylimidazol-4-yl]ethylcarbamoyl]carbamic acid

Systemtic Name: carboxy-[2-[1-(triphenylmethyl)sulfanylimidazol-4-yl]ethylcarbamoyl]carbamic acid Openeye Name: carboxy-[2-(1-tritylsulfanylimidazol-4-yl)ethylcarbamoyl]carbamic acid CAS Name: carboxy-[oxo-[2-[1-[(triphenylmethyl)thio]-4-imidazolyl]ethylamino]methyl]carbamic acid IUPAC Name: carboxy-[2-(1-tritylsulfanylimidazol-4-yl)ethylcarbamoyl]carbamic acid Traditional Name: carboxy-[2-[1-(tritylthio)imidazol-4-yl]ethylcarbamoyl]carbamic acid Formula: C27H24N4O5S MolecularWeight: 516.56826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SN4C=C(N=C4)CCNC(=O)N(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SN4C=C(N=C4)CCNC(=O)N(C(=O)O)C(=O)O

InChI

InChI=1S/C27H24N4O5S/c32-24(31(25(33)34)26(35)36)28-17-16-23-18-30(19-29-23)37-27(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2,(H,28,32)(H,33,34)(H,35,36)