N-[(3,4-dimethoxyphenyl)methyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: 2-pyrrol-1-yl-N-veratryl-1,3-benzothiazole-6-carboxamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4)OC

InChI

InChI=1S/C21H19N3O3S/c1-26-17-8-5-14(11-18(17)27-2)13-22-20(25)15-6-7-16-19(12-15)28-21(23-16)24-9-3-4-10-24/h3-12H,13H2,1-2H3,(H,22,25)