S-[[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]carbamoylamino] 4-methoxybenzenecarbothioate

Systemtic Name: S-[[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]carbamoylamino] 4-methoxybenzenecarbothioate Openeye Name: S-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]carbamoylamino] 4-methoxybenzenecarbothioate CAS Name: 4-methoxybenzenecarbothioic acid S-[[[3-(1,3-benzoxazol-2-yl)-4-chloroanilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamoylamino] 4-methoxybenzenecarbothioate Traditional Name: 4-methoxythiobenzoic acid S-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]carbamoylamino] ester Formula: C22H16ClN3O4S MolecularWeight: 453.89814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O4S/c1-29-15-9-6-13(7-10-15)21(27)31-26-22(28)24-14-8-11-17(23)16(12-14)20-25-18-4-2-3-5-19(18)30-20/h2-12H,1H3,(H2,24,26,28)