3-bromanyl-N-[[[4-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[[4-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[[4-(3,4-dimethylanilino)-4-oxo-butanoyl]amino]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[[4-(3,4-dimethylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[[4-(3,4-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[[4-(3,4-dimethylanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-4-methoxy-benzamide Formula: C21H23BrN4O4S MolecularWeight: 507.40072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OC)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OC)Br)C

InChI

InChI=1S/C21H23BrN4O4S/c1-12-4-6-15(10-13(12)2)23-18(27)8-9-19(28)25-26-21(31)24-20(29)14-5-7-17(30-3)16(22)11-14/h4-7,10-11H,8-9H2,1-3H3,(H,23,27)(H,25,28)(H2,24,26,29,31)