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

Systemtic Name: 3-bromanyl-N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[[4-(benzylamino)-4-oxo-butanoyl]amino]carbamothioyl]-3-bromo-4-propoxy-benzamide CAS Name: 3-bromo-N-[[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]hydrazo]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioyl]-3-bromo-4-propoxybenzamide Traditional Name: N-[[[4-(benzylamino)-4-keto-butanoyl]amino]thiocarbamoyl]-3-bromo-4-propoxy-benzamide Formula: C22H25BrN4O4S MolecularWeight: 521.4273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NCC2=CC=CC=C2)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NCC2=CC=CC=C2)Br

InChI

InChI=1S/C22H25BrN4O4S/c1-2-12-31-18-9-8-16(13-17(18)23)21(30)25-22(32)27-26-20(29)11-10-19(28)24-14-15-6-4-3-5-7-15/h3-9,13H,2,10-12,14H2,1H3,(H,24,28)(H,26,29)(H2,25,27,30,32)