naphthalen-1-ylmethyl carbamimidothioate; 2-naphthalen-2-yloxyethanoic acid

Systemtic Name: naphthalen-1-ylmethyl carbamimidothioate; 2-naphthalen-2-yloxyethanoic acid Openeye Name: 2-(1-naphthylmethyl)isothiourea; 2-(2-naphthyloxy)acetic acid CAS Name: carbamimidothioic acid 1-naphthalenylmethyl ester; 2-(2-naphthalenyloxy)acetic acid IUPAC Name: naphthalen-1-ylmethyl carbamimidothioate; 2-naphthalen-2-yloxyacetic acid Traditional Name: 2-(2-naphthoxy)acetic acid; 2-(1-naphthylmethyl)isothiourea Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OCC(=O)O.C1=CC=C2C(=C1)C=CC=C2CSC(=N)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OCC(=O)O.C1=CC=C2C(=C1)C=CC=C2CSC(=N)N

InChI

InChI=1S/C12H12N2S.C12H10O3/c13-12(14)15-8-10-6-3-5-9-4-1-2-7-11(9)10;13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H3,13,14);1-7H,8H2,(H,13,14)