2-(1,3-benzothiazol-2-yl)-2-(phenylmethyl)butanebis(thioic S-acid)

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-(phenylmethyl)butanebis(thioic S-acid) Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-benzyl-butanebis(thioic S-acid) CAS Name: 2-(1,3-benzothiazol-2-yl)-2-(phenylmethyl)butanebis(thioic S-acid) IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-benzylbutanebis(thioic S-acid) Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-benzyl-butanebis(thioic S-acid) Formula: C18H15NO2S3 MolecularWeight: 373.5122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)S)(C2=NC3=CC=CC=C3S2)C(=O)S

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(=O)S)(C2=NC3=CC=CC=C3S2)C(=O)S

InChI

InChI=1S/C18H15NO2S3/c20-15(22)11-18(17(21)23,10-12-6-2-1-3-7-12)16-19-13-8-4-5-9-14(13)24-16/h1-9H,10-11H2,(H,20,22)(H,21,23)