S-phenyl N-[4-[[4-(phenylsulfanylcarbonylamino)phenyl]carbamoyl]phenyl]carbamothioate

Systemtic Name: S-phenyl N-[4-[[4-(phenylsulfanylcarbonylamino)phenyl]carbamoyl]phenyl]carbamothioate Openeye Name: S-phenyl N-[4-[[4-(phenylsulfanylcarbonylamino)benzoyl]amino]phenyl]carbamothioate CAS Name: N-[4-[oxo-[4-[[oxo-(phenylthio)methyl]amino]anilino]methyl]phenyl]carbamothioic acid S-phenyl ester IUPAC Name: S-phenyl N-[4-[[4-(phenylsulfanylcarbonylamino)benzoyl]amino]phenyl]carbamothioate Traditional Name: N-[4-[[4-[(phenylthio)carbonylamino]benzoyl]amino]phenyl]thiocarbamic acid S-phenyl ester Formula: C27H21N3O3S2 MolecularWeight: 499.60394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=O)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)SC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=O)SC4=CC=CC=C4

InChI

InChI=1S/C27H21N3O3S2/c31-25(19-11-13-21(14-12-19)29-26(32)34-23-7-3-1-4-8-23)28-20-15-17-22(18-16-20)30-27(33)35-24-9-5-2-6-10-24/h1-18H,(H,28,31)(H,29,32)(H,30,33)