1-[(2-methylphenyl)methyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-[(2-methylphenyl)methyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(o-tolylmethyl)thiourea CAS Name: 1-[(2-methylphenyl)methyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-[(2-methylphenyl)methyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-(2-methylbenzyl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Formula: C16H14N4O2S2 MolecularWeight: 358.43796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CNC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O2S2/c1-10-4-2-3-5-11(10)9-17-15(23)19-16-18-13-7-6-12(20(21)22)8-14(13)24-16/h2-8H,9H2,1H3,(H2,17,18,19,23)