N-[2-(4-hydroxyphenyl)-3-(3-methylbutylamino)-3-oxidanylidene-1-thiophen-2-yl-propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[2-(4-hydroxyphenyl)-3-(3-methylbutylamino)-3-oxidanylidene-1-thiophen-2-yl-propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[2-(4-hydroxyphenyl)-3-(isopentylamino)-3-oxo-1-(2-thienyl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[2-(4-hydroxyphenyl)-3-(3-methylbutylamino)-3-oxo-1-thiophen-2-ylpropyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[2-(4-hydroxyphenyl)-3-(3-methylbutylamino)-3-oxo-1-thiophen-2-ylpropyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[2-(4-hydroxyphenyl)-3-(isoamylamino)-3-keto-1-(2-thienyl)propyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(C1=CC=C(C=C1)O)C(C2=CC=CS2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C)CCNC(=O)C(C1=CC=C(C=C1)O)C(C2=CC=CS2)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C27H30N2O5S/c1-17(2)13-14-28-27(32)24(18-9-11-19(30)12-10-18)25(23-8-5-15-35-23)29-26(31)22-16-33-20-6-3-4-7-21(20)34-22/h3-12,15,17,22,24-25,30H,13-14,16H2,1-2H3,(H,28,32)(H,29,31)