1-[(4-chlorophenyl)methyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-[(4-chlorophenyl)methyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-[(4-chlorophenyl)methyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-(4-chlorobenzyl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Formula: C15H11ClN4O2S2 MolecularWeight: 378.85644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H11ClN4O2S2/c16-10-3-1-9(2-4-10)8-17-14(23)19-15-18-12-6-5-11(20(21)22)7-13(12)24-15/h1-7H,8H2,(H2,17,18,19,23)