[4-[(5-butyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[(5-butyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methylphosphonic acid Openeye Name: [4-[(5-butyl-4-phenyl-thiazol-2-yl)carbamoyl]phenyl]methylphosphonic acid CAS Name: [4-[[(5-butyl-4-phenyl-2-thiazolyl)amino]-oxomethyl]phenyl]methylphosphonic acid IUPAC Name: [4-[(5-butyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methylphosphonic acid Traditional Name: [4-[(5-butyl-4-phenyl-thiazol-2-yl)carbamoyl]benzyl]phosphonic acid Formula: C21H23N2O4PS MolecularWeight: 430.457081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)CP(=O)(O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)CP(=O)(O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N2O4PS/c1-2-3-9-18-19(16-7-5-4-6-8-16)22-21(29-18)23-20(24)17-12-10-15(11-13-17)14-28(25,26)27/h4-8,10-13H,2-3,9,14H2,1H3,(H,22,23,24)(H2,25,26,27)