3-chloranyl-N-[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(2-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[2-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-(2-methyl-4-pyrrolidino-anilino)ethyl]benzothiophene-2-carboxamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H22ClN3O2S/c1-14-12-15(26-10-4-5-11-26)8-9-17(14)25-19(27)13-24-22(28)21-20(23)16-6-2-3-7-18(16)29-21/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,24,28)(H,25,27)