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

Systemtic Name: N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[[4-(benzylamino)-4-oxo-butanoyl]amino]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]hydrazo]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[[4-(benzylamino)-4-keto-butanoyl]amino]thiocarbamoyl]-3-propoxy-benzamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S/c1-2-13-30-18-10-6-9-17(14-18)21(29)24-22(31)26-25-20(28)12-11-19(27)23-15-16-7-4-3-5-8-16/h3-10,14H,2,11-13,15H2,1H3,(H,23,27)(H,25,28)(H2,24,26,29,31)