2-(4-chloranyl-3-methyl-phenoxy)ethanoic acid; naphthalen-1-ylmethyl carbamimidothioate

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)ethanoic acid; naphthalen-1-ylmethyl carbamimidothioate Openeye Name: 2-(4-chloro-3-methyl-phenoxy)acetic acid; 2-(1-naphthylmethyl)isothiourea CAS Name: carbamimidothioic acid 1-naphthalenylmethyl ester; 2-(4-chloro-3-methylphenoxy)acetic acid IUPAC Name: 2-(4-chloro-3-methylphenoxy)acetic acid; naphthalen-1-ylmethyl carbamimidothioate Traditional Name: 2-(4-chloro-3-methyl-phenoxy)acetic acid; 2-(1-naphthylmethyl)isothiourea Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2S.C9H9ClO3/c13-12(14)15-8-10-6-3-5-9-4-1-2-7-11(9)10;1-6-4-7(2-3-8(6)10)13-5-9(11)12/h1-7H,8H2,(H3,13,14);2-4H,5H2,1H3,(H,11,12)