3-bromanyl-4-(2-methoxyethoxy)-N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(2-methoxyethoxy)-N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]benzamide Openeye Name: N-[[[4-(benzylamino)-4-oxo-butanoyl]amino]carbamothioyl]-3-bromo-4-(2-methoxyethoxy)benzamide CAS Name: 3-bromo-N-[[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]hydrazo]-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: N-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioyl]-3-bromo-4-(2-methoxyethoxy)benzamide Traditional Name: N-[[[4-(benzylamino)-4-keto-butanoyl]amino]thiocarbamoyl]-3-bromo-4-(2-methoxyethoxy)benzamide Formula: C22H25BrN4O5S MolecularWeight: 537.4267

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NCC2=CC=CC=C2)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NCC2=CC=CC=C2)Br

InChI

InChI=1S/C22H25BrN4O5S/c1-31-11-12-32-18-8-7-16(13-17(18)23)21(30)25-22(33)27-26-20(29)10-9-19(28)24-14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,24,28)(H,26,29)(H2,25,27,30,33)