3-bromanyl-N-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[[[4-[[cyclohexyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C30H31BrN4O4S MolecularWeight: 623.56054

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

InChI

InChI=1S/C30H31BrN4O4S/c31-25-19-23(13-16-26(25)39-18-17-20-7-3-1-4-8-20)28(37)33-30(40)35-34-29(38)22-11-14-24(15-12-22)32-27(36)21-9-5-2-6-10-21/h1,3-4,7-8,11-16,19,21H,2,5-6,9-10,17-18H2,(H,32,36)(H,34,38)(H2,33,35,37,40)