3-azanyl-4,5-bis(phenylmethyl)benzenecarbothioic S-acid

Systemtic Name: 3-azanyl-4,5-bis(phenylmethyl)benzenecarbothioic S-acid Openeye Name: 3-amino-4,5-dibenzyl-benzenecarbothioic S-acid CAS Name: 3-amino-4,5-bis(phenylmethyl)benzenecarbothioic S-acid IUPAC Name: 3-amino-4,5-dibenzylbenzenecarbothioic S-acid Traditional Name: 3-amino-4,5-dibenzyl-thiobenzoic acid Formula: C21H19NOS MolecularWeight: 333.44666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=CC(=C2)C(=O)S)N)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=CC(=C2)C(=O)S)N)CC3=CC=CC=C3

InChI

InChI=1S/C21H19NOS/c22-20-14-18(21(23)24)13-17(11-15-7-3-1-4-8-15)19(20)12-16-9-5-2-6-10-16/h1-10,13-14H,11-12,22H2,(H,23,24)