2-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]propan-1-one CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-propanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]propan-1-one Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]propan-1-one Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H25N3O2S/c1-14-23(17(4)29)15(2)27-24(14)25(30)16(3)26-19-11-9-18(10-12-19)13-22-28-20-7-5-6-8-21(20)31-22/h5-12,16,26-27H,13H2,1-4H3