S-[7-(1,3-benzothiazol-2-ylamino)-7-oxidanylidene-heptyl] 2-methylpropanethioate

Systemtic Name: S-[7-(1,3-benzothiazol-2-ylamino)-7-oxidanylidene-heptyl] 2-methylpropanethioate Openeye Name: S-[7-(1,3-benzothiazol-2-ylamino)-7-oxo-heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[7-(1,3-benzothiazol-2-ylamino)-7-oxoheptyl] ester IUPAC Name: S-[7-(1,3-benzothiazol-2-ylamino)-7-oxoheptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[7-(1,3-benzothiazol-2-ylamino)-7-keto-heptyl] ester Formula: C18H24N2O2S2 MolecularWeight: 364.52536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCCCCCCC(=O)NC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)C(=O)SCCCCCCC(=O)NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C18H24N2O2S2/c1-13(2)17(22)23-12-8-4-3-5-11-16(21)20-18-19-14-9-6-7-10-15(14)24-18/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H,19,20,21)