S-[[5-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]carbamoylamino] 3,4-dimethoxybenzenecarbothioate

Systemtic Name: S-[[5-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]carbamoylamino] 3,4-dimethoxybenzenecarbothioate Openeye Name: S-[[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]carbamoylamino] 3,4-dimethoxybenzenecarbothioate CAS Name: 3,4-dimethoxybenzenecarbothioic acid S-[[[5-(1,3-benzothiazol-2-yl)-2-chloroanilino]-oxomethyl]amino] ester IUPAC Name: S-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamoylamino] 3,4-dimethoxybenzenecarbothioate Traditional Name: 3,4-dimethoxythiobenzoic acid S-[[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]carbamoylamino] ester Formula: C23H18ClN3O4S2 MolecularWeight: 499.98972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)Cl)OC

InChI

InChI=1S/C23H18ClN3O4S2/c1-30-18-10-8-14(12-19(18)31-2)22(28)33-27-23(29)26-17-11-13(7-9-15(17)24)21-25-16-5-3-4-6-20(16)32-21/h3-12H,1-2H3,(H2,26,27,29)