(3S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-6-oxidanylidene-1-phenethyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-6-oxidanylidene-1-phenethyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-6-oxo-1-phenethyl-piperidine-3-carboxamide CAS Name: (3S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-6-oxo-1-phenethyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-6-oxo-1-phenethylpiperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-methyl-1-phenethyl-N-(piazthiol-5-ylmethyl)nipecotamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=NSN=C2C=C1)C(=O)C3CCC(=O)N(C3)CCC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC2=NSN=C2C=C1)C(=O)[C@H]3CCC(=O)N(C3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S/c1-25(14-17-7-9-19-20(13-17)24-29-23-19)22(28)18-8-10-21(27)26(15-18)12-11-16-5-3-2-4-6-16/h2-7,9,13,18H,8,10-12,14-15H2,1H3/t18-/m0/s1