1-(1-methoxypropan-2-yl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-(1-methoxypropan-2-yl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-(2-methoxy-1-methyl-ethyl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-(1-methoxypropan-2-yl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-(1-methoxypropan-2-yl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-(2-methoxy-1-methyl-ethyl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Formula: C12H14N4O3S2 MolecularWeight: 326.39456

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=S)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(COC)NC(=S)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O3S2/c1-7(6-19-2)13-11(20)15-12-14-9-4-3-8(16(17)18)5-10(9)21-12/h3-5,7H,6H2,1-2H3,(H2,13,14,15,20)