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

Systemtic Name: 3-bromanyl-4-methoxy-N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]benzamide Openeye Name: N-[[[4-(benzylamino)-4-oxo-butanoyl]amino]carbamothioyl]-3-bromo-4-methoxy-benzamide CAS Name: 3-bromo-N-[[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]hydrazo]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioyl]-3-bromo-4-methoxybenzamide Traditional Name: N-[[[4-(benzylamino)-4-keto-butanoyl]amino]thiocarbamoyl]-3-bromo-4-methoxy-benzamide Formula: C20H21BrN4O4S MolecularWeight: 493.37414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NCC2=CC=CC=C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NCC2=CC=CC=C2)Br

InChI

InChI=1S/C20H21BrN4O4S/c1-29-16-8-7-14(11-15(16)21)19(28)23-20(30)25-24-18(27)10-9-17(26)22-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,22,26)(H,24,27)(H2,23,25,28,30)