N-[4-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-amino]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-amino]-4-keto-butyl]thiophene-3-carboxamide Formula: C19H22BrN3O3S MolecularWeight: 452.36528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)CCCNC(=O)C2=CSC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)CCCNC(=O)C2=CSC=C2

InChI

InChI=1S/C19H22BrN3O3S/c1-13-10-15(20)5-6-16(13)22-17(24)11-23(2)18(25)4-3-8-21-19(26)14-7-9-27-12-14/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,21,26)(H,22,24)