2-(1H-indol-3-yl)ethanoic acid; naphthalen-1-ylmethyl carbamimidothioate

Systemtic Name: 2-(1H-indol-3-yl)ethanoic acid; naphthalen-1-ylmethyl carbamimidothioate Openeye Name: 2-(1H-indol-3-yl)acetic acid; 2-(1-naphthylmethyl)isothiourea CAS Name: carbamimidothioic acid 1-naphthalenylmethyl ester; 2-(1H-indol-3-yl)acetic acid IUPAC Name: 2-(1H-indol-3-yl)acetic acid; naphthalen-1-ylmethyl carbamimidothioate Traditional Name: 2-(1H-indol-3-yl)acetic acid; 2-(1-naphthylmethyl)isothiourea Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC(=N)N.C1=CC=C2C(=C1)C(=CN2)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC(=N)N.C1=CC=C2C(=C1)C(=CN2)CC(=O)O

InChI

InChI=1S/C12H12N2S.C10H9NO2/c13-12(14)15-8-10-6-3-5-9-4-1-2-7-11(9)10;12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-7H,8H2,(H3,13,14);1-4,6,11H,5H2,(H,12,13)