N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C18H19BrN2O2S MolecularWeight: 407.32466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C18H19BrN2O2S/c1-11-8-13(19)6-7-14(11)21-17(22)10-20-18(23)16-9-12-4-2-3-5-15(12)24-16/h6-9H,2-5,10H2,1H3,(H,20,23)(H,21,22)