4-(1H-indol-3-yl)butanoic acid; naphthalen-1-ylmethyl carbamimidothioate

Systemtic Name: 4-(1H-indol-3-yl)butanoic acid; naphthalen-1-ylmethyl carbamimidothioate Openeye Name: 4-(1H-indol-3-yl)butanoic acid; 2-(1-naphthylmethyl)isothiourea CAS Name: carbamimidothioic acid 1-naphthalenylmethyl ester; 4-(1H-indol-3-yl)butanoic acid IUPAC Name: 4-(1H-indol-3-yl)butanoic acid; naphthalen-1-ylmethyl carbamimidothioate Traditional Name: 4-(1H-indol-3-yl)butyric acid; 2-(1-naphthylmethyl)isothiourea Formula: C24H25N3O2S MolecularWeight: 419.5392

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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)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2S.C12H13NO2/c13-12(14)15-8-10-6-3-5-9-4-1-2-7-11(9)10;14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-7H,8H2,(H3,13,14);1-2,5-6,8,13H,3-4,7H2,(H,14,15)