1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-(4-nitrophenyl)thiourea Openeye Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-(4-nitrophenyl)thiourea CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-(4-nitrophenyl)thiourea Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-(4-nitrophenyl)thiourea Formula: C16H14N4O2S2 MolecularWeight: 358.43796

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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