1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C17H16N4O3S2 MolecularWeight: 388.46394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H16N4O3S2/c1-9-6-13-15(7-10(9)2)26-17(19-13)20-16(25)18-12-5-4-11(21(22)23)8-14(12)24-3/h4-8H,1-3H3,(H2,18,19,20,25)