(6S)-2-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-2-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-2-[[[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-2-[(5-bromo-1-naphthoyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H20BrN3O2S2 MolecularWeight: 502.4471

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br

InChI

InChI=1S/C22H20BrN3O2S2/c1-11-8-9-15-17(10-11)30-21(18(15)19(24)27)26-22(29)25-20(28)14-6-2-5-13-12(14)4-3-7-16(13)23/h2-7,11H,8-10H2,1H3,(H2,24,27)(H2,25,26,28,29)/t11-/m0/s1