N-[[2-[(3,5-dimethoxyphenyl)carbonylcarbamothioylamino]-1,3-benzothiazol-6-yl]carbamothioyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[[2-[(3,5-dimethoxyphenyl)carbonylcarbamothioylamino]-1,3-benzothiazol-6-yl]carbamothioyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[2-[(3,5-dimethoxybenzoyl)carbamothioylamino]-1,3-benzothiazol-6-yl]carbamothioyl]-3,5-dimethoxy-benzamide CAS Name: N-[[[2-[[[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[2-[(3,5-dimethoxybenzoyl)carbamothioylamino]-1,3-benzothiazol-6-yl]carbamothioyl]-3,5-dimethoxybenzamide Traditional Name: N-[[2-[(3,5-dimethoxybenzoyl)thiocarbamoylamino]-1,3-benzothiazol-6-yl]thiocarbamoyl]-3,5-dimethoxy-benzamide Formula: C27H25N5O6S3 MolecularWeight: 611.7123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=S)NC(=O)C4=CC(=CC(=C4)OC)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=S)NC(=O)C4=CC(=CC(=C4)OC)OC)OC

InChI

InChI=1S/C27H25N5O6S3/c1-35-17-7-14(8-18(12-17)36-2)23(33)30-25(39)28-16-5-6-21-22(11-16)41-27(29-21)32-26(40)31-24(34)15-9-19(37-3)13-20(10-15)38-4/h5-13H,1-4H3,(H2,28,30,33,39)(H2,29,31,32,34,40)