N-(4-aminocarbonylphenyl)-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(4-aminocarbonylphenyl)-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(4-carbamoylphenyl)-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide CAS Name: N-(4-carbamoylphenyl)-2-(2,5-dimethyl-1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(4-carbamoylphenyl)-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(4-carbamoylphenyl)-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2S/c1-12-3-4-13(2)25(12)21-24-17-10-7-15(11-18(17)28-21)20(27)23-16-8-5-14(6-9-16)19(22)26/h3-11H,1-2H3,(H2,22,26)(H,23,27)