1-(1,3-benzothiazol-2-ylmethyl)-3-(2-chloranyl-5-nitro-phenyl)-1-methyl-thiourea

Systemtic Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(2-chloranyl-5-nitro-phenyl)-1-methyl-thiourea Openeye Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(2-chloro-5-nitro-phenyl)-1-methyl-thiourea CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(2-chloro-5-nitrophenyl)-1-methylthiourea IUPAC Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(2-chloro-5-nitrophenyl)-1-methylthiourea Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(2-chloro-5-nitro-phenyl)-1-methyl-thiourea Formula: C16H13ClN4O2S2 MolecularWeight: 392.88302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O2S2/c1-20(9-15-18-12-4-2-3-5-14(12)25-15)16(24)19-13-8-10(21(22)23)6-7-11(13)17/h2-8H,9H2,1H3,(H,19,24)