2-(1,3-benzothiazol-2-yl)-2-(phenylmethyl)butanebis(thioate); cyclohexylazanium

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-(phenylmethyl)butanebis(thioate); cyclohexylazanium Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-benzyl-butanebis(thioate); cyclohexylammonium CAS Name: 2-(1,3-benzothiazol-2-yl)-2-(phenylmethyl)butanebis(thioate); cyclohexylammonium IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-benzylbutanebis(thioate); cyclohexylazanium Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-benzyl-butanebis(thioate); cyclohexylammonium Formula: C30H41N3O2S3 MolecularWeight: 571.86044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH3+].C1CCC(CC1)[NH3+].C1=CC=C(C=C1)CC(CC(=S)[O-])(C2=NC3=CC=CC=C3S2)C(=S)[O-]

Isomeric SMILES

C1CCC(CC1)[NH3+].C1CCC(CC1)[NH3+].C1=CC=C(C=C1)CC(CC(=S)[O-])(C2=NC3=CC=CC=C3S2)C(=S)[O-]

InChI

InChI=1S/C18H15NO2S3.2C6H13N/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;2*7-6-4-2-1-3-5-6/h1-9H,10-11H2,(H,20,22)(H,21,23);2*6H,1-5,7H2