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

Systemtic Name: 2-methoxy-N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]benzamide Openeye Name: N-[[[4-(benzylamino)-4-oxo-butanoyl]amino]carbamothioyl]-2-methoxy-benzamide CAS Name: N-[[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]hydrazo]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: N-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioyl]-2-methoxybenzamide Traditional Name: N-[[[4-(benzylamino)-4-keto-butanoyl]amino]thiocarbamoyl]-2-methoxy-benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=S)NNC(=O)CCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=S)NNC(=O)CCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C20H22N4O4S/c1-28-16-10-6-5-9-15(16)19(27)22-20(29)24-23-18(26)12-11-17(25)21-13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,21,25)(H,23,26)(H2,22,24,27,29)