S-[2-[[4-[4-(2-aminocarbonylsulfanylethanoylamino)-3-methoxy-phenyl]-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl] carbamothioate

Systemtic Name: S-[2-[[4-[4-(2-aminocarbonylsulfanylethanoylamino)-3-methoxy-phenyl]-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl] carbamothioate Openeye Name: S-[2-[4-[4-[(2-carbamoylsulfanylacetyl)amino]-3-methoxy-phenyl]-2-methoxy-anilino]-2-oxo-ethyl] carbamothioate CAS Name: carbamothioic acid S-[2-[4-[4-[[2-(carbamoylthio)-1-oxoethyl]amino]-3-methoxyphenyl]-2-methoxyanilino]-2-oxoethyl] ester IUPAC Name: S-[2-[4-[4-[(2-carbamoylsulfanylacetyl)amino]-3-methoxyphenyl]-2-methoxyanilino]-2-oxoethyl] carbamothioate Traditional Name: thiocarbamic acid S-[2-[4-[4-[[2-(carbamoylthio)acetyl]amino]-3-methoxy-phenyl]-2-methoxy-anilino]-2-keto-ethyl] ester Formula: C20H22N4O6S2 MolecularWeight: 478.54188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)CSC(=O)N)OC)NC(=O)CSC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)CSC(=O)N)OC)NC(=O)CSC(=O)N

InChI

InChI=1S/C20H22N4O6S2/c1-29-15-7-11(3-5-13(15)23-17(25)9-31-19(21)27)12-4-6-14(16(8-12)30-2)24-18(26)10-32-20(22)28/h3-8H,9-10H2,1-2H3,(H2,21,27)(H2,22,28)(H,23,25)(H,24,26)