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

Systemtic Name: S-[[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]carbamoylamino] 2-methoxybenzenecarbothioate Openeye Name: S-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]carbamoylamino] 2-methoxybenzenecarbothioate CAS Name: 2-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] 2-methoxybenzenecarbothioate Traditional Name: 2-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=CC=C1C(=O)SNC(=O)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4O3

Isomeric SMILES

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

InChI

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