N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-dimethoxy-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-dimethoxy-phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-dimethoxy-phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[3-(1-benzotriazolyl)-1-oxopropyl]amino]-2,5-dimethoxyphenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-dimethoxyphenyl]thiophene-2-carboxamide Traditional Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-dimethoxy-phenyl]thiophene-2-carboxamide Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OC)NC(=O)CCN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OC)NC(=O)CCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H21N5O4S/c1-30-18-13-16(24-22(29)20-8-5-11-32-20)19(31-2)12-15(18)23-21(28)9-10-27-17-7-4-3-6-14(17)25-26-27/h3-8,11-13H,9-10H2,1-2H3,(H,23,28)(H,24,29)