(6-bromanyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl N'-(4-chlorophenyl)carbamimidothioate

Systemtic Name: (6-bromanyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl N'-(4-chlorophenyl)carbamimidothioate Openeye Name: 2-[(6-bromo-2-oxo-1,3-benzoxazol-3-yl)methyl]-3-(4-chlorophenyl)isothiourea CAS Name: N'-(4-chlorophenyl)carbamimidothioic acid (6-bromo-2-oxo-1,3-benzoxazol-3-yl)methyl ester IUPAC Name: (6-bromo-2-oxo-1,3-benzoxazol-3-yl)methyl N'-(4-chlorophenyl)carbamimidothioate Traditional Name: 2-[(6-bromo-2-keto-1,3-benzoxazol-3-yl)methyl]-3-(4-chlorophenyl)isothiourea Formula: C15H11BrClN3O2S MolecularWeight: 412.68874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=C(N)SCN2C3=C(C=C(C=C3)Br)OC2=O)Cl

Isomeric SMILES

C1=CC(=CC=C1N=C(N)SCN2C3=C(C=C(C=C3)Br)OC2=O)Cl

InChI

InChI=1S/C15H11BrClN3O2S/c16-9-1-6-12-13(7-9)22-15(21)20(12)8-23-14(18)19-11-4-2-10(17)3-5-11/h1-7H,8H2,(H2,18,19)