1-(2-methoxy-4-nitro-phenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Formula: C22H18N4O3S2 MolecularWeight: 450.53332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=C(C=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=C(C=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H18N4O3S2/c1-13-3-9-18-20(11-13)31-21(24-18)14-4-6-15(7-5-14)23-22(30)25-17-10-8-16(26(27)28)12-19(17)29-2/h3-12H,1-2H3,(H2,23,25,30)