S-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 3-bromanyl-4-methoxy-benzenecarbothioate

Systemtic Name: S-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 3-bromanyl-4-methoxy-benzenecarbothioate Openeye Name: S-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 3-bromo-4-methoxy-benzenecarbothioate CAS Name: 3-bromo-4-methoxybenzenecarbothioic acid S-[[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 3-bromo-4-methoxybenzenecarbothioate Traditional Name: 3-bromo-4-methoxy-thiobenzoic acid S-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino] ester Formula: C22H16BrN3O4S MolecularWeight: 498.34914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3)Br

InChI

InChI=1S/C22H16BrN3O4S/c1-29-18-10-9-14(12-16(18)23)21(27)31-26-22(28)24-15-6-4-5-13(11-15)20-25-17-7-2-3-8-19(17)30-20/h2-12H,1H3,(H2,24,26,28)