N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-3-ethoxy-4-(3-pyridylmethoxy)benzamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-3-ethoxy-4-(3-pyridinylmethoxy)benzamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-3-ethoxy-4-(3-pyridylmethoxy)benzamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)NC2=NC(=C(S2)SCC(=O)N)C)OCC3=CN=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)NC2=NC(=C(S2)SCC(=O)N)C)OCC3=CN=CC=C3

InChI

InChI=1S/C21H22N4O4S2/c1-3-28-17-9-15(6-7-16(17)29-11-14-5-4-8-23-10-14)19(27)25-21-24-13(2)20(31-21)30-12-18(22)26/h4-10H,3,11-12H2,1-2H3,(H2,22,26)(H,24,25,27)