[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyl N-(3-chlorophenyl)carbamate

Systemtic Name: [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyl N-(3-chlorophenyl)carbamate Openeye Name: [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyl N-(3-chlorophenyl)carbamate CAS Name: N-(3-chlorophenyl)carbamic acid [4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]methyl ester IUPAC Name: [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-(3-chlorophenyl)carbamate Traditional Name: N-(3-chlorophenyl)carbamic acid [4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzyl] ester Formula: C21H14ClN3O4S2 MolecularWeight: 471.93656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)COC(=O)NC4=CC(=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)COC(=O)NC4=CC(=CC=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClN3O4S2/c22-14-4-3-5-15(11-14)23-20(26)29-12-13-8-9-19(17(10-13)25(27)28)31-21-24-16-6-1-2-7-18(16)30-21/h1-11H,12H2,(H,23,26)