2-(2-chloranylethanoylamino)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-(2-chloranylethanoylamino)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(2-chloroacetyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(2-chloro-1-oxoethyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(2-chloroacetyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(2-chloroacetyl)amino]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(SC4=C3CCCC4)NC(=O)CCl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(SC4=C3CCCC4)NC(=O)CCl

InChI

InChI=1S/C22H23ClN4O3S/c1-13-19(22(30)27(26(13)2)14-8-4-3-5-9-14)25-20(29)18-15-10-6-7-11-16(15)31-21(18)24-17(28)12-23/h3-5,8-9H,6-7,10-12H2,1-2H3,(H,24,28)(H,25,29)