N-(1-methylpyrazol-3-yl)-3-[(4-oxidanylidene-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)oxy]-5-propan-2-yloxy-benzamide

Systemtic Name: N-(1-methylpyrazol-3-yl)-3-[(4-oxidanylidene-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)oxy]-5-propan-2-yloxy-benzamide Openeye Name: 3-isopropoxy-N-(1-methylpyrazol-3-yl)-5-[(4-oxo-5,6,7,8-tetrahydrothiazolo[5,4-c]azepin-2-yl)oxy]benzamide CAS Name: N-(1-methyl-3-pyrazolyl)-3-[(4-oxo-5,6,7,8-tetrahydrothiazolo[5,4-c]azepin-2-yl)oxy]-5-propan-2-yloxybenzamide IUPAC Name: N-(1-methylpyrazol-3-yl)-3-[(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)oxy]-5-propan-2-yloxybenzamide Traditional Name: 3-isopropoxy-5-[(4-keto-5,6,7,8-tetrahydrothiazol[5,4-c]azepin-2-yl)oxy]-N-(1-methylpyrazol-3-yl)benzamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=CC(=C1)OC2=NC3=C(S2)C(=O)NCCC3)C(=O)NC4=NN(C=C4)C

Isomeric SMILES

CC(C)OC1=CC(=CC(=C1)OC2=NC3=C(S2)C(=O)NCCC3)C(=O)NC4=NN(C=C4)C

InChI

InChI=1S/C21H23N5O4S/c1-12(2)29-14-9-13(19(27)24-17-6-8-26(3)25-17)10-15(11-14)30-21-23-16-5-4-7-22-20(28)18(16)31-21/h6,8-12H,4-5,7H2,1-3H3,(H,22,28)(H,24,25,27)