2-(4-bromanyl-2-methyl-phenoxy)ethanoic acid; naphthalen-1-ylmethyl carbamimidothioate

Systemtic Name: 2-(4-bromanyl-2-methyl-phenoxy)ethanoic acid; naphthalen-1-ylmethyl carbamimidothioate Openeye Name: 2-(4-bromo-2-methyl-phenoxy)acetic acid; 2-(1-naphthylmethyl)isothiourea CAS Name: 2-(4-bromo-2-methylphenoxy)acetic acid; carbamimidothioic acid 1-naphthalenylmethyl ester IUPAC Name: 2-(4-bromo-2-methylphenoxy)acetic acid; naphthalen-1-ylmethyl carbamimidothioate Traditional Name: 2-(4-bromo-2-methyl-phenoxy)acetic acid; 2-(1-naphthylmethyl)isothiourea Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)O.C1=CC=C2C(=C1)C=CC=C2CSC(=N)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)O.C1=CC=C2C(=C1)C=CC=C2CSC(=N)N

InChI

InChI=1S/C12H12N2S.C9H9BrO3/c13-12(14)15-8-10-6-3-5-9-4-1-2-7-11(9)10;1-6-4-7(10)2-3-8(6)13-5-9(11)12/h1-7H,8H2,(H3,13,14);2-4H,5H2,1H3,(H,11,12)