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

Systemtic Name: S-[[3-(1,3-benzothiazol-2-yl)-4-chloranyl-phenyl]carbamoylamino] 3,4-dimethoxybenzenecarbothioate Openeye Name: S-[[3-(1,3-benzothiazol-2-yl)-4-chloro-phenyl]carbamoylamino] 3,4-dimethoxybenzenecarbothioate CAS Name: 3,4-dimethoxybenzenecarbothioic acid S-[[[3-(1,3-benzothiazol-2-yl)-4-chloroanilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamoylamino] 3,4-dimethoxybenzenecarbothioate Traditional Name: 3,4-dimethoxythiobenzoic acid S-[[3-(1,3-benzothiazol-2-yl)-4-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=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

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

InChI

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