1-[(Z)-(4,5-dimethoxy-2-nitro-phenyl)methylideneamino]-1-methyl-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(Z)-(4,5-dimethoxy-2-nitro-phenyl)methylideneamino]-1-methyl-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(Z)-(4,5-dimethoxy-2-nitro-phenyl)methyleneamino]-1-methyl-thiourea CAS Name: 1-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-1-methylthiourea Traditional Name: 3-benzyl-1-[(Z)-(4,5-dimethoxy-2-nitro-benzylidene)amino]-1-methyl-thiourea Formula: C18H20N4O4S MolecularWeight: 388.4408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)N=CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)/N=C\C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C18H20N4O4S/c1-21(18(27)19-11-13-7-5-4-6-8-13)20-12-14-9-16(25-2)17(26-3)10-15(14)22(23)24/h4-10,12H,11H2,1-3H3,(H,19,27)/b20-12-