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

Systemtic Name: N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[[4-(benzylamino)-4-oxo-butanoyl]amino]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]hydrazo]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[[[4-(benzylamino)-4-keto-butanoyl]amino]thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=CC=CC(=C2)C(=O)NC(=S)NNC(=O)CCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=CC=CC(=C2)C(=O)NC(=S)NNC(=O)CCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C27H28N4O4S/c32-24(28-19-21-10-5-2-6-11-21)14-15-25(33)30-31-27(36)29-26(34)22-12-7-13-23(18-22)35-17-16-20-8-3-1-4-9-20/h1-13,18H,14-17,19H2,(H,28,32)(H,30,33)(H2,29,31,34,36)