N-tert-butyl-3-chloranyl-7-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]-1-benzothiophene-2-carboxamide

Systemtic Name: N-tert-butyl-3-chloranyl-7-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[[(E)-3-(5-phenyl-2-furyl)prop-2-enoyl]carbamothioylamino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[[(E)-1-oxo-3-(5-phenyl-2-furanyl)prop-2-enyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[[(E)-3-(5-phenyl-2-furyl)acryloyl]thiocarbamoylamino]benzothiophene-2-carboxamide Formula: C27H24ClN3O3S2 MolecularWeight: 538.08076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=S)NC(=O)C=CC3=CC=C(O3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC=C(O3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C27H24ClN3O3S2/c1-27(2,3)31-25(33)24-22(28)18-10-7-11-19(23(18)36-24)29-26(35)30-21(32)15-13-17-12-14-20(34-17)16-8-5-4-6-9-16/h4-15H,1-3H3,(H,31,33)(H2,29,30,32,35)/b15-13+