4-bromanyl-N-[5-[2-[(4-hexoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-imidazolidin-1-yl]benzamide

Systemtic Name: 4-bromanyl-N-[5-[2-[(4-hexoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-imidazolidin-1-yl]benzamide Openeye Name: N-[3-benzyl-5-[2-(4-hexoxyanilino)-2-oxo-ethyl]-4-oxo-2-thioxo-imidazolidin-1-yl]-4-bromo-benzamide CAS Name: 4-bromo-N-[5-[2-(4-hexoxyanilino)-2-oxoethyl]-4-oxo-3-(phenylmethyl)-2-sulfanylidene-1-imidazolidinyl]benzamide IUPAC Name: N-[3-benzyl-5-[2-(4-hexoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-4-bromobenzamide Traditional Name: N-[3-benzyl-5-[2-(4-hexoxyanilino)-2-keto-ethyl]-4-keto-2-thioxo-imidazolidin-1-yl]-4-bromo-benzamide Formula: C31H33BrN4O4S MolecularWeight: 637.58712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2NC(=O)C3=CC=C(C=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2NC(=O)C3=CC=C(C=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C31H33BrN4O4S/c1-2-3-4-8-19-40-26-17-15-25(16-18-26)33-28(37)20-27-30(39)35(21-22-9-6-5-7-10-22)31(41)36(27)34-29(38)23-11-13-24(32)14-12-23/h5-7,9-18,27H,2-4,8,19-21H2,1H3,(H,33,37)(H,34,38)