N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C28H29N3O5S2 MolecularWeight: 551.67696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C28H29N3O5S2/c1-5-34-22-15-18(16-23(35-6-2)25(22)36-7-3)26(32)31-28(37)30-20-14-17(12-13-21(20)33-4)27-29-19-10-8-9-11-24(19)38-27/h8-16H,5-7H2,1-4H3,(H2,30,31,32,37)