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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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