N-[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(4-tert-butylanilino)-2-oxo-ethyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[2-(4-tert-butylanilino)-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(4-tert-butylanilino)-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(4-tert-butylanilino)-2-keto-ethyl]-3-chloro-benzothiophene-2-carboxamide Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H21ClN2O2S/c1-21(2,3)13-8-10-14(11-9-13)24-17(25)12-23-20(26)19-18(22)15-6-4-5-7-16(15)27-19/h4-11H,12H2,1-3H3,(H,23,26)(H,24,25)