N-[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-1-(phenylcarbonyl)piperidine-4-carboxamide

Systemtic Name: N-[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-1-(phenylcarbonyl)piperidine-4-carboxamide Openeye Name: 1-benzoyl-N-[2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]piperidine-4-carboxamide CAS Name: 1-benzoyl-N-[2-[[2-(diethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-4-piperidinecarboxamide IUPAC Name: 1-benzoyl-N-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]piperidine-4-carboxamide Traditional Name: 1-benzoyl-N-[2-[[2-(diethylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]isonipecotamide Formula: C26H30N4O3S2 MolecularWeight: 510.6714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3S2/c1-3-29(4-2)23(31)17-34-26-28-21-11-10-20(16-22(21)35-26)27-24(32)18-12-14-30(15-13-18)25(33)19-8-6-5-7-9-19/h5-11,16,18H,3-4,12-15,17H2,1-2H3,(H,27,32)