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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]benzamide Openeye Name: N-[[[4-(benzylamino)-4-oxo-butanoyl]amino]carbamothioyl]-3-bromo-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]hydrazo]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: N-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioyl]-3-bromo-4-(3-methylbutoxy)benzamide Traditional Name: N-[[[4-(benzylamino)-4-keto-butanoyl]amino]thiocarbamoyl]-3-bromo-4-isoamoxy-benzamide Formula: C24H29BrN4O4S MolecularWeight: 549.48046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NCC2=CC=CC=C2)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NCC2=CC=CC=C2)Br

InChI

InChI=1S/C24H29BrN4O4S/c1-16(2)12-13-33-20-9-8-18(14-19(20)25)23(32)27-24(34)29-28-22(31)11-10-21(30)26-15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,26,30)(H,28,31)(H2,27,29,32,34)