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

Systemtic Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxy-phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxy-phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[3-(1-benzotriazolyl)-1-oxopropyl]amino]-2,5-diethoxyphenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxyphenyl]thiophene-2-carboxamide Traditional Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxy-phenyl]thiophene-2-carboxamide Formula: C24H25N5O4S MolecularWeight: 479.5514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OCC)NC(=O)CCN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OCC)NC(=O)CCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C24H25N5O4S/c1-3-32-20-15-18(26-24(31)22-10-7-13-34-22)21(33-4-2)14-17(20)25-23(30)11-12-29-19-9-6-5-8-16(19)27-28-29/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,25,30)(H,26,31)