2-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[(5-bromo-2-methoxy-3-methyl-benzoyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[(5-bromo-2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C20H22BrN3O3S2 MolecularWeight: 496.44098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)N)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)N)OC

InChI

InChI=1S/C20H22BrN3O3S2/c1-10-8-11(21)9-13(16(10)27-2)18(26)23-20(28)24-19-15(17(22)25)12-6-4-3-5-7-14(12)29-19/h8-9H,3-7H2,1-2H3,(H2,22,25)(H2,23,24,26,28)