(1S)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohex-3-ene-1-carboxamide Openeye Name: (1S)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohex-3-ene-1-carboxamide CAS Name: (1S)-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1S)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohex-3-ene-1-carboxamide Traditional Name: (1S)-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)cyclohex-3-ene-1-carboxamide Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4CCC=CC4

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC(=O)[C@H]4CCC=CC4

InChI

InChI=1S/C18H21N3OS/c22-17(13-6-2-1-3-7-13)19-14-8-9-15-16(12-14)23-18(20-15)21-10-4-5-11-21/h1-2,8-9,12-13H,3-7,10-11H2,(H,19,22)/t13-/m1/s1