N-[[(6S)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide

Systemtic Name: N-[[(6S)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-2-furamide Formula: C22H20BrN3O3S2 MolecularWeight: 518.4465

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H20BrN3O3S2/c1-11-2-7-14-17(10-11)31-21(18(14)19(24)27)26-22(30)25-20(28)16-9-8-15(29-16)12-3-5-13(23)6-4-12/h3-6,8-9,11H,2,7,10H2,1H3,(H2,24,27)(H2,25,26,28,30)/t11-/m0/s1