N-[4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C23H19N3O2S2 MolecularWeight: 433.54586

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H19N3O2S2/c27-21(20-8-4-14-29-20)24-16-11-9-15(10-12-16)23(28)26-13-3-6-18(26)22-25-17-5-1-2-7-19(17)30-22/h1-2,4-5,7-12,14,18H,3,6,13H2,(H,24,27)/t18-/m1/s1