[3-[2-bromoethyl-(2-methylphenyl)carbamoyl]oxyphenyl]-methyl-carbamothioic S-acid

Systemtic Name: [3-[2-bromoethyl-(2-methylphenyl)carbamoyl]oxyphenyl]-methyl-carbamothioic S-acid Openeye Name: [3-[2-bromoethyl(o-tolyl)carbamoyl]oxyphenyl]-methyl-carbamothioic S-acid CAS Name: [3-[[N-(2-bromoethyl)-2-methylanilino]-oxomethoxy]phenyl]-methylcarbamothioic S-acid IUPAC Name: [3-[2-bromoethyl-(2-methylphenyl)carbamoyl]oxyphenyl]-methylcarbamothioic S-acid Traditional Name: [3-[2-bromoethyl(o-tolyl)carbamoyl]oxyphenyl]-methyl-thiocarbamic S-acid Formula: C18H19BrN2O3S MolecularWeight: 423.32406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CCBr)C(=O)OC2=CC=CC(=C2)N(C)C(=O)S

Isomeric SMILES

CC1=CC=CC=C1N(CCBr)C(=O)OC2=CC=CC(=C2)N(C)C(=O)S

InChI

InChI=1S/C18H19BrN2O3S/c1-13-6-3-4-9-16(13)21(11-10-19)17(22)24-15-8-5-7-14(12-15)20(2)18(23)25/h3-9,12H,10-11H2,1-2H3,(H,23,25)