S-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 2-methoxybenzenecarbothioate

Systemtic Name: S-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 2-methoxybenzenecarbothioate Openeye Name: S-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 2-methoxybenzenecarbothioate CAS Name: 2-methoxybenzenecarbothioic acid S-[[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 2-methoxybenzenecarbothioate Traditional Name: 2-methoxythiobenzoic acid S-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino] ester Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)SNC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=CC=C1C(=O)SNC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H17N3O4S/c1-28-18-11-4-2-9-16(18)21(26)30-25-22(27)23-15-8-6-7-14(13-15)20-24-17-10-3-5-12-19(17)29-20/h2-13H,1H3,(H2,23,25,27)