1-[5-(diethylamino)pentan-2-yl]-3-(6-nitro-1,3-benzothiazol-2-yl)urea

Systemtic Name: 1-[5-(diethylamino)pentan-2-yl]-3-(6-nitro-1,3-benzothiazol-2-yl)urea Openeye Name: 1-[4-(diethylamino)-1-methyl-butyl]-3-(6-nitro-1,3-benzothiazol-2-yl)urea CAS Name: 1-[5-(diethylamino)pentan-2-yl]-3-(6-nitro-1,3-benzothiazol-2-yl)urea IUPAC Name: 1-[5-(diethylamino)pentan-2-yl]-3-(6-nitro-1,3-benzothiazol-2-yl)urea Traditional Name: 1-[4-(diethylamino)-1-methyl-butyl]-3-(6-nitro-1,3-benzothiazol-2-yl)urea Formula: C17H25N5O3S MolecularWeight: 379.4771

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O3S/c1-4-21(5-2)10-6-7-12(3)18-16(23)20-17-19-14-9-8-13(22(24)25)11-15(14)26-17/h8-9,11-12H,4-7,10H2,1-3H3,(H2,18,19,20,23)