1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-nitrophenyl)urea

Systemtic Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-nitrophenyl)urea Openeye Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-nitrophenyl)urea CAS Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-nitrophenyl)urea IUPAC Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-nitrophenyl)urea Traditional Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-nitrophenyl)urea Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O3S/c1-13-2-11-18-19(12-13)29-20(24-18)14-3-5-15(6-4-14)22-21(26)23-16-7-9-17(10-8-16)25(27)28/h2-12H,1H3,(H2,22,23,26)