N-tert-butyl-3-chloranyl-7-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-1-benzothiophene-2-carboxamide

Systemtic Name: N-tert-butyl-3-chloranyl-7-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]benzothiophene-2-carboxamide Formula: C24H24ClN3O3S2 MolecularWeight: 502.04866

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(C=C3)OC)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(C=C3)OC)Cl

InChI

InChI=1S/C24H24ClN3O3S2/c1-24(2,3)28-22(30)21-19(25)16-6-5-7-17(20(16)33-21)26-23(32)27-18(29)13-10-14-8-11-15(31-4)12-9-14/h5-13H,1-4H3,(H,28,30)(H2,26,27,29,32)/b13-10+