N-(1,3-benzodioxol-5-yl)-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(2,5-dimethyl-1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C21H17N3O3S/c1-12-3-4-13(2)24(12)21-23-16-7-5-14(9-19(16)28-21)20(25)22-15-6-8-17-18(10-15)27-11-26-17/h3-10H,11H2,1-2H3,(H,22,25)