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

Systemtic Name: N-tert-butyl-3-chloranyl-7-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[[(E)-3-(2,4-dichlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[[(E)-3-(2,4-dichlorophenyl)acryloyl]thiocarbamoylamino]benzothiophene-2-carboxamide Formula: C23H20Cl3N3O2S2 MolecularWeight: 540.9128

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20Cl3N3O2S2/c1-23(2,3)29-21(31)20-18(26)14-5-4-6-16(19(14)33-20)27-22(32)28-17(30)10-8-12-7-9-13(24)11-15(12)25/h4-11H,1-3H3,(H,29,31)(H2,27,28,30,32)/b10-8+