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

Systemtic Name: 3-azanyl-5-methyl-4-(phenylmethyl)benzenecarbothioic S-acid Openeye Name: 3-amino-4-benzyl-5-methyl-benzenecarbothioic S-acid CAS Name: 3-amino-5-methyl-4-(phenylmethyl)benzenecarbothioic S-acid IUPAC Name: 3-amino-4-benzyl-5-methylbenzenecarbothioic S-acid Traditional Name: 3-amino-4-benzyl-5-methyl-thiobenzoic acid Formula: C15H15NOS MolecularWeight: 257.3507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)S)N)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)S)N)CC2=CC=CC=C2

InChI

InChI=1S/C15H15NOS/c1-10-7-12(15(17)18)9-14(16)13(10)8-11-5-3-2-4-6-11/h2-7,9H,8,16H2,1H3,(H,17,18)