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

Systemtic Name: 3-acetamido-4-(phenylcarbonyl)-5-(phenylmethyl)benzenecarbothioic S-acid Openeye Name: 3-acetamido-4-benzoyl-5-benzyl-benzenecarbothioic S-acid CAS Name: 3-acetamido-4-benzoyl-5-(phenylmethyl)benzenecarbothioic S-acid IUPAC Name: 3-acetamido-4-benzoyl-5-benzylbenzenecarbothioic S-acid Traditional Name: 3-acetamido-4-benzoyl-5-benzyl-thiobenzoic acid Formula: C23H19NO3S MolecularWeight: 389.46686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)CC3=CC=CC=C3)C(=O)S

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)CC3=CC=CC=C3)C(=O)S

InChI

InChI=1S/C23H19NO3S/c1-15(25)24-20-14-19(23(27)28)13-18(12-16-8-4-2-5-9-16)21(20)22(26)17-10-6-3-7-11-17/h2-11,13-14H,12H2,1H3,(H,24,25)(H,27,28)