S-methyl 1-[(3-carbamimidoylphenyl)methyl]-4-oxidanyl-indole-2-carbothioate

Systemtic Name: S-methyl 1-[(3-carbamimidoylphenyl)methyl]-4-oxidanyl-indole-2-carbothioate Openeye Name: S-methyl 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-indole-2-carbothioate CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-2-indolecarbothioic acid S-methyl ester IUPAC Name: S-methyl 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxyindole-2-carbothioate Traditional Name: 1-(3-amidinobenzyl)-4-hydroxy-indole-2-carbothioic acid S-methyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)C1=CC2=C(N1CC3=CC=CC(=C3)C(=N)N)C=CC=C2O

Isomeric SMILES

CSC(=O)C1=CC2=C(N1CC3=CC=CC(=C3)C(=N)N)C=CC=C2O

InChI

InChI=1S/C18H17N3O2S/c1-24-18(23)15-9-13-14(6-3-7-16(13)22)21(15)10-11-4-2-5-12(8-11)17(19)20/h2-9,22H,10H2,1H3,(H3,19,20)