3-azanyl-4-(phenylcarbonyl)-5-(phenylmethyl)benzenecarbothioic S-acid

Systemtic Name: 3-azanyl-4-(phenylcarbonyl)-5-(phenylmethyl)benzenecarbothioic S-acid Openeye Name: 3-amino-4-benzoyl-5-benzyl-benzenecarbothioic S-acid CAS Name: 3-amino-4-benzoyl-5-(phenylmethyl)benzenecarbothioic S-acid IUPAC Name: 3-amino-4-benzoyl-5-benzylbenzenecarbothioic S-acid Traditional Name: 3-amino-4-benzoyl-5-benzyl-thiobenzoic acid Formula: C21H17NO2S MolecularWeight: 347.43018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=CC(=C2)C(=O)S)N)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=CC(=C2)C(=O)S)N)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H17NO2S/c22-18-13-17(21(24)25)12-16(11-14-7-3-1-4-8-14)19(18)20(23)15-9-5-2-6-10-15/h1-10,12-13H,11,22H2,(H,24,25)