S-butyl N-[[4-(4-nitrophenoxy)phenyl]carbamoyl]carbamothioate

Systemtic Name: S-butyl N-[[4-(4-nitrophenoxy)phenyl]carbamoyl]carbamothioate Openeye Name: S-butyl N-[[4-(4-nitrophenoxy)phenyl]carbamoyl]carbamothioate CAS Name: N-[[4-(4-nitrophenoxy)anilino]-oxomethyl]carbamothioic acid S-butyl ester IUPAC Name: S-butyl N-[[4-(4-nitrophenoxy)phenyl]carbamoyl]carbamothioate Traditional Name: N-[[4-(4-nitrophenoxy)phenyl]carbamoyl]thiocarbamic acid S-butyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=O)NC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCSC(=O)NC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-2-3-12-27-18(23)20-17(22)19-13-4-8-15(9-5-13)26-16-10-6-14(7-11-16)21(24)25/h4-11H,2-3,12H2,1H3,(H2,19,20,22,23)