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

Systemtic Name: N-tert-butyl-3-chloranyl-7-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioylamino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]benzothiophene-2-carboxamide Formula: C21H20ClN3O3S2 MolecularWeight: 461.9848

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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=CC=CO3)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC=CO3)Cl

InChI

InChI=1S/C21H20ClN3O3S2/c1-21(2,3)25-19(27)18-16(22)13-7-4-8-14(17(13)30-18)23-20(29)24-15(26)10-9-12-6-5-11-28-12/h4-11H,1-3H3,(H,25,27)(H2,23,24,26,29)/b10-9+