1-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-3-nitro-phenyl)urea

Systemtic Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-3-nitro-phenyl)urea Openeye Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-3-nitro-phenyl)urea CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-3-nitrophenyl)urea IUPAC Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-3-nitrophenyl)urea Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-3-nitro-phenyl)urea Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O3S/c1-10-6-7-11(8-13(10)20(22)23)18-16(21)17-9-15-19-12-4-2-3-5-14(12)24-15/h2-8H,9H2,1H3,(H2,17,18,21)