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

Systemtic Name: 1-heptan-2-yl-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-(1-methylhexyl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-heptan-2-yl-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-heptan-2-yl-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-(1-methylhexyl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Formula: C15H20N4O2S2 MolecularWeight: 352.4749

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O2S2/c1-3-4-5-6-10(2)16-14(22)18-15-17-12-8-7-11(19(20)21)9-13(12)23-15/h7-10H,3-6H2,1-2H3,(H2,16,17,18,22)