S-[2-[[4-[4-(2-aminocarbonylsulfanylethanoylamino)phenyl]phenyl]amino]-2-oxidanylidene-ethyl] carbamothioate

Systemtic Name: S-[2-[[4-[4-(2-aminocarbonylsulfanylethanoylamino)phenyl]phenyl]amino]-2-oxidanylidene-ethyl] carbamothioate Openeye Name: S-[2-[4-[4-[(2-carbamoylsulfanylacetyl)amino]phenyl]anilino]-2-oxo-ethyl] carbamothioate CAS Name: carbamothioic acid S-[2-[4-[4-[[2-(carbamoylthio)-1-oxoethyl]amino]phenyl]anilino]-2-oxoethyl] ester IUPAC Name: S-[2-[4-[4-[(2-carbamoylsulfanylacetyl)amino]phenyl]anilino]-2-oxoethyl] carbamothioate Traditional Name: thiocarbamic acid S-[2-[4-[4-[[2-(carbamoylthio)acetyl]amino]phenyl]anilino]-2-keto-ethyl] ester Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)NC(=O)CSC(=O)N)NC(=O)CSC(=O)N

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)NC(=O)CSC(=O)N)NC(=O)CSC(=O)N

InChI

InChI=1S/C18H18N4O4S2/c19-17(25)27-9-15(23)21-13-5-1-11(2-6-13)12-3-7-14(8-4-12)22-16(24)10-28-18(20)26/h1-8H,9-10H2,(H2,19,25)(H2,20,26)(H,21,23)(H,22,24)