N-[3-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-4,5-dimethyl-pyrrol-2-yl]-3-phenyl-propanamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-4,5-dimethyl-pyrrol-2-yl]-3-phenyl-propanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-4,5-dimethyl-pyrrol-2-yl]-3-phenyl-propanamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-4,5-dimethyl-2-pyrrolyl]-3-phenylpropanamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-4,5-dimethylpyrrol-2-yl]-3-phenylpropanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-4,5-dimethyl-pyrrol-2-yl]-3-phenyl-propionamide Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C2=NC3=CC=CC=C3S2)NC(=O)CCC4=CC=CC=C4)CCOC)C

Isomeric SMILES

CC1=C(N(C(=C1C2=NC3=CC=CC=C3S2)NC(=O)CCC4=CC=CC=C4)CCOC)C

InChI

InChI=1S/C25H27N3O2S/c1-17-18(2)28(15-16-30-3)24(27-22(29)14-13-19-9-5-4-6-10-19)23(17)25-26-20-11-7-8-12-21(20)31-25/h4-12H,13-16H2,1-3H3,(H,27,29)