tert-butyl (NZ)-N-[azanyl-[4-(3-bromophenyl)sulfonyl-5-methylsulfanyl-thiophen-2-yl]methylidene]carbamate

Systemtic Name: tert-butyl (NZ)-N-[azanyl-[4-(3-bromophenyl)sulfonyl-5-methylsulfanyl-thiophen-2-yl]methylidene]carbamate Openeye Name: tert-butyl (NZ)-N-[amino-[4-(3-bromophenyl)sulfonyl-5-methylsulfanyl-2-thienyl]methylene]carbamate CAS Name: (NZ)-N-[amino-[4-(3-bromophenyl)sulfonyl-5-(methylthio)-2-thiophenyl]methylidene]carbamic acid tert-butyl ester IUPAC Name: tert-butyl (NZ)-N-[amino-[4-(3-bromophenyl)sulfonyl-5-methylsulfanylthiophen-2-yl]methylidene]carbamate Traditional Name: (NZ)-N-[amino-[4-(3-bromophenyl)sulfonyl-5-(methylthio)-2-thienyl]methylene]carbamic acid tert-butyl ester Formula: C17H19BrN2O4S3 MolecularWeight: 491.44276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N=C(C1=CC(=C(S1)SC)S(=O)(=O)C2=CC(=CC=C2)Br)N

Isomeric SMILES

CC(C)(C)OC(=O)/N=C(/C1=CC(=C(S1)SC)S(=O)(=O)C2=CC(=CC=C2)Br)\N

InChI

InChI=1S/C17H19BrN2O4S3/c1-17(2,3)24-16(21)20-14(19)12-9-13(15(25-4)26-12)27(22,23)11-7-5-6-10(18)8-11/h5-9H,1-4H3,(H2,19,20,21)