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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-homoveratryl-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S/c1-27-18-8-5-15(13-19(18)28-2)9-10-23-21(26)16-6-7-17-20(14-16)29-22(24-17)25-11-3-4-12-25/h3-8,11-14H,9-10H2,1-2H3,(H,23,26)