5-bromanyl-N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[[[4-(benzylamino)-4-oxo-butanoyl]amino]carbamothioyl]-5-bromo-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioyl]-5-bromo-2-phenethyloxybenzamide Traditional Name: N-[[[4-(benzylamino)-4-keto-butanoyl]amino]thiocarbamoyl]-5-bromo-2-phenethyloxy-benzamide Formula: C27H27BrN4O4S MolecularWeight: 583.49668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NNC(=O)CCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NNC(=O)CCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C27H27BrN4O4S/c28-21-11-12-23(36-16-15-19-7-3-1-4-8-19)22(17-21)26(35)30-27(37)32-31-25(34)14-13-24(33)29-18-20-9-5-2-6-10-20/h1-12,17H,13-16,18H2,(H,29,33)(H,31,34)(H2,30,32,35,37)