N-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: N-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: N-[[[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=CC=C3OCCC4=CC=CC=C4

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=CC=C3OCCC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O4S/c32-24(19-10-11-19)28-21-14-12-20(13-15-21)25(33)30-31-27(36)29-26(34)22-8-4-5-9-23(22)35-17-16-18-6-2-1-3-7-18/h1-9,12-15,19H,10-11,16-17H2,(H,28,32)(H,30,33)(H2,29,31,34,36)