1-[2-[(2-bromophenyl)methylsulfanyl]ethanoylamino]-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-[2-[(2-bromophenyl)methylsulfanyl]ethanoylamino]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[[2-[(2-bromophenyl)methylthio]-1-oxoethyl]amino]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[[2-[(2-bromobenzyl)thio]acetyl]amino]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C17H17BrN4O4S2 MolecularWeight: 485.37528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=O)CSCC2=CC=CC=C2Br

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=O)CSCC2=CC=CC=C2Br

InChI

InChI=1S/C17H17BrN4O4S2/c1-26-15-8-12(22(24)25)6-7-14(15)19-17(27)21-20-16(23)10-28-9-11-4-2-3-5-13(11)18/h2-8H,9-10H2,1H3,(H,20,23)(H2,19,21,27)