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

Systemtic Name: [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyl N-phenylcarbamate Openeye Name: [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyl N-phenylcarbamate CAS Name: N-phenylcarbamic acid [4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]methyl ester IUPAC Name: [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzyl] ester Formula: C21H15N3O4S2 MolecularWeight: 437.4915

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)OCC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)OCC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O4S2/c25-20(22-15-6-2-1-3-7-15)28-13-14-10-11-19(17(12-14)24(26)27)30-21-23-16-8-4-5-9-18(16)29-21/h1-12H,13H2,(H,22,25)